SCHEMBL5076709

SCHEMBL5076709

CC(C)(C)c1ccc(OP(=O)([O-])[O-])cc1.[Na+].[Na+]

nearest known ligand 0.54

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 0.46
CA2 known ✓ P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4622060 0.98 CA1 (0.44) CA1CA2CA9MAPTALDH1A1
SCHEMBL28934781 0.98 CA1 (0.44) CA1CA2CA9MAPTALDH1A1
SCHEMBL4624139 0.98 LMNA (0.46) CA1CA2CA9MAPTALDH1A1
Zinc Ion SCHEMBL4622731 0.98 CA1 (0.44) CA1CA2CA9MAPTALDH1A1
SCHEMBL8659995 0.90 GPR84 (0.47) CA1CA2CA9MAPTALDH1A1
SCHEMBL402058 0.90 GPR84 (0.47) CA1CA2CA9MAPTALDH1A1
SCHEMBL30461570 0.86 MAPT (0.45) CA1CA2CA9MAPTALDH1A1
Potassium Ion SCHEMBL1844305 0.86 CA1 (0.44) CA1CA2CA9MAPTALDH1A1
SCHEMBL1846850 0.86 CA1 (0.44) CA1CA2CA9MAPTALDH1A1
Zinc Ion SCHEMBL4623990 0.86 CA1 (0.44) CA1CA2CA9MAPTALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549246-A Hyperbranched microcrystalline nucleating agent composition and application thereof 中化石化销售有限公司 2021-10-26 CN claimed
CN-113444343-A Preparation method of hyperbranched microcrystalline nucleating agent and preparation method of polyolefin resin 中化石化销售有限公司 2021-09-28 CN claimed
CN-113549246-B Hyperbranched microcrystalline nucleating agent composition and application 中化石化销售有限公司 2023-09-19 CN disclosed
CN-113444343-B Preparation method of hyperbranched microcrystalline nucleating agent and preparation method of polyolefin resin 中化石化销售有限公司 2023-07-14 CN disclosed
CN-110337356-B Adhesive article comprising polylactic acid polymer film and method of making the same 3M创新有限公司 2022-06-21 CN disclosed
CN-109312096-B Foam compositions comprising polylactic acid polymers, polyvinyl acetate polymers, and plasticizers, articles, and methods of making and using the same 3M创新有限公司 2022-05-24 CN disclosed
CN-109153799-B Oriented polylactic acid polymer-based film 3M创新有限公司 2022-03-08 CN disclosed
CN-110062791-B Compositions and films comprising polylactic acid polymers and copolymers comprising long chain alkyl moieties 3M创新有限公司 2022-02-11 CN disclosed
CN-113614152-A Films comprising polylactic acid polymers suitable for graphic articles 3M创新有限公司 2021-11-05 CN disclosed
CN-113549246-A Hyperbranched microcrystalline nucleating agent composition and application thereof 中化石化销售有限公司 2021-10-26 CN disclosed
CN-113444343-A Preparation method of hyperbranched microcrystalline nucleating agent and preparation method of polyolefin resin 中化石化销售有限公司 2021-09-28 CN disclosed
CN-109312147-B Graphic article comprising semicrystalline polylactic acid-based film 3M创新有限公司 2021-04-16 CN disclosed
CN-108779370-B Packaged pre-adhesive composition, adhesive and article comprising polylactic acid containing packaging material 3M创新有限公司 2021-02-12 CN disclosed
CN-104053535-A Polyester film and manufacturing process therefor TORAY INDUSTRIES 2014-09-17 CN disclosed
EP-1717267-B1 Resin composition and molded product obtained therefrom SONY CORP (JP) 2008-05-14 EP disclosed
EP-1717267-A1 Resin composition and molded product obtained therefrom SONY CORPORATION (JP) 2006-11-02 EP disclosed
US-4258142-A ADDING A PHENYL PHOSPHATE AND METAL COMPOUND ARGUS CHEMICAL CORP. (US) 1981-03-24 US disclosed