SCHEMBL6739022

SCHEMBL6739022

CC(C)(C)c1ccc(OP(=O)([O-])[O-])c(C(C)(C)C)c1.[Na+].[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.40
CA2 known ✓ P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NR1I2 O75469 2/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28468987 0.98 CA1 (0.39) CA1CA2CA9NR1I2APEX1
SCHEMBL28138857 0.98 CA1 (0.39) CA1CA2CA9NR1I2APEX1
Lithium Ion SCHEMBL21541943 0.98 CA1 (0.39) CA1CA2CA9NR1I2APEX1
SCHEMBL27969783 0.98 CA1 (0.39) CA1CA2CA9NR1I2APEX1
SCHEMBL28308871 0.98 CA1 (0.39) CA1CA2CA9NR1I2APEX1
Water SCHEMBL27776360 0.97 CA1 (0.38) CA1CA2CA9NR1I2APEX1
SCHEMBL28137776 0.95 APEX1 (0.38) CA1CA2CA9NR1I2APEX1
SCHEMBL227991 0.92 CA1 (0.39) CA1CA2CA9NR1I2APEX1
SCHEMBL29773964 0.92 CA1 (0.39) CA1CA2CA9NR1I2APEX1
SCHEMBL28351191 0.88 CA1 (0.39) CA1CA2CA9NR1I2APEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444892-A Polypropylene material and preparation method and application thereof 金发科技股份有限公司 2023-07-18 CN claimed
CN-116425904-A Supported Ziegler-Natta catalyst and preparation method and application thereof 山东京博石油化工有限公司 2023-07-14 CN claimed
CN-115489187-B High-strength superfine fiber shielding material and preparation method and application thereof 河南省驼人医疗科技有限公司 2023-06-30 CN claimed
CN-115746725-A High-dimensional-stability polyolefin release film and manufacturing method thereof 浙江道明新材料有限公司 2023-03-07 CN claimed
CN-114752127-A High-molecular modified material of high-cold-resistance railway sleeper 广东特帅科技股份有限公司 2022-07-15 CN claimed
CN-112457639-A Polylactic resin prepared from corn and preparation method thereof 杨勇 2021-03-09 CN claimed
CN-111100381-A Polypropylene resin for low-precipitation injection-stretch blow molding 中国石油化工股份有限公司 2020-05-05 CN claimed
CN-111073102-A Low-temperature high-permeability toughened PE shrink film material and preparation method thereof 宁波市付枫塑业有限公司 2020-04-28 CN claimed
CN-116693971-B Anti-yellowing modified composite additive for polyolefin and preparation method and application thereof 涿州市隽诚化工有限公司 2024-06-04 CN disclosed
CN-115678161-B Composite nucleating agent composition and application thereof 呈和科技股份有限公司 2024-04-12 CN disclosed
CN-117777201-A Synthesis method of 2,2' -methylenebis (4, 6-di-tert-butylphenyl) phosphate hydroxyl aluminum salt 江苏极易新材料有限公司 2024-03-29 CN disclosed
CN-117511425-B Anti-sticking packaging adhesive film for photovoltaic module and preparation method and application thereof 浙江祥邦永晟新能源有限公司 2024-03-29 CN disclosed
CN-116041846-B Low-creep ultraviolet flame-retardant material used in high-frequency vibration environment 上海日之升科技有限公司 2024-02-23 CN disclosed
CN-117511425-A Anti-sticking packaging adhesive film for photovoltaic module and preparation method and application thereof 浙江祥邦永晟新能源有限公司 2024-02-06 CN disclosed
EP-0779329-B1 Styrene-based resin composition and process for producing molding products thereof IDEMITSU KOSAN CO (JP) 2001-05-09 EP disclosed
EP-0382064-B1 Styrene-based resin composition and process for producing molding products thereof IDEMITSU KOSAN CO (JP) 1997-11-26 EP disclosed
US-5663310-A SOLVENT ETHER, KETONE, ESTER OR ALCOHOL FOR FILMS FUJI PHOTO FILM CO., LTD. (JP) 1997-09-02 US disclosed
EP-0779329-A2 Styrene-based resin composition and process for producing molding products thereof IDEMITSU KOSAN CO., LTD. (JP) 1997-06-18 EP disclosed
US-5034441-A Molding material containing an organo phosphate and a polyoxyalkylene compound with a styrene resin IDEMITSU KOSAN CO., LTD. (JP) 1991-07-23 US disclosed
EP-0382064-A1 Styrene-based resin composition and process for producing molding products thereof IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-16 EP disclosed