SCHEMBL3623617

SCHEMBL3623617

CCCc1cc2ccccc2c(S(=O)(=O)[O-])c1CCC.[Na+]

nearest known ligand 0.43

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 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
NR1I2 O75469 1/20 0.36
NCEH1 Q6PIU2 1/20 0.34
MAPT P10636 1/20 0.33
NQO2 P16083 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.32
GPR35 Q9HC97 1/20 0.32
ENTPD1 P49961 1/20 0.32
ENTPD2 Q9Y5L3 1/20 0.32

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
Formaldehyde SCHEMBL18140648 0.97 GPR84 (0.41) GPR84ATMALDH1A1KDM4EHPGD
Potassium Ion SCHEMBL10978333 0.97 GPR84 (0.43) GPR84ATMALDH1A1KDM4EHPGD
SCHEMBL11238265 0.91 MAPT (0.43) GPR84ATMALDH1A1KDM4EHPGD
SCHEMBL31516528 0.89 TLR8 (0.40) GPR84ATMALDH1A1KDM4EHPGD
SCHEMBL66353 0.89 TLR8 (0.40) GPR84ATMALDH1A1KDM4EHPGD
SCHEMBL11406960 0.88 MAPT (0.42) GPR84ALDH1A1KDM4EHPGDGAA
Water SCHEMBL9133681 0.88 TLR8 (0.39) GPR84ATMALDH1A1KDM4EHPGD
Formaldehyde SCHEMBL11114952 0.87 TLR8 (0.38) GPR84ATMALDH1A1KDM4EHPGD
SCHEMBL18139671 0.87 MAPT (0.44) ATMALDH1A1KDM4EHPGDGAA
SCHEMBL18141747 0.87 MAPT (0.44) ATMALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111979630-A Functional textile fabric 广东捷信科技服务有限公司 2020-11-24 CN claimed
CN-110983583-A Blended clothing fabric 广东捷信科技服务有限公司 2020-04-10 CN claimed
EP-3864963-A1 OILY SUSPENSION AGROCHEMICAL COMPOSITION Kumiai Chemical Industry Co., Ltd. (JP) 2021-08-18 EP disclosed
CN-111979630-A Functional textile fabric 广东捷信科技服务有限公司 2020-11-24 CN disclosed
CN-110983583-A Blended clothing fabric 广东捷信科技服务有限公司 2020-04-10 CN disclosed
US-10428194-B2 Modified acrylic resin cured product, and laminate thereof, and production methods therefor MITSUI CHEMICALS, INC. (JP) 2019-10-01 US disclosed
EP-3263635-B1 MODIFIED ACRYLIC RESIN CURED PRODUCT, AND LAMINATE THEREOF, AND PRODUCTION METHODS THEREFOR MITSUI CHEMICALS INC (JP) 2019-09-18 EP disclosed
US-20180030230-A1 MODIFIED ACRYLIC RESIN CURED PRODUCT, AND LAMINATE THEREOF, AND PRODUCTION METHODS THEREFOR MITSUI CHEMICALS, INC. (JP) 2018-02-01 US disclosed
EP-3263635-A1 MODIFIED ACRYLIC RESIN CURED PRODUCT, AND LAMINATE THEREOF, AND PRODUCTION METHODS THEREFOR Mitsui Chemicals, Inc. (JP) 2018-01-03 EP disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed
EP-1865049-B1 CLEANING AGENT FOR THERMOSTATIC CHAMBERS WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-5648446-A ADHESIVES, FIREPROOFING, HEAT RESISTANCE IN RESINS FOR MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
US-5646240-A THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
US-5596039-A FLAME RETARDERS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-21 US disclosed
US-5569726-A USEFUL IN FLAME-RETARDING, THERMAL STABILIZATION AND COMPATIBILIZATION OF RESINS AND IN THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-10-29 US disclosed
US-5545702-A THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US disclosed
US-5536795-A ADHESIVES AND PAINTS AND FIREPROOFING THERMOSETTING RESINS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0612777-A2 Thermosetting molding and expansion-forming compositions MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed
US-4105453-A BASIC MORDANT, ACIDIC DYE, HYDROPHILIC COLLOID CONTAINING A PHENOXY(POLY)ETHOXY SULFATE OR SULFONATE, NAPHTHALENE SULFONATE LAYER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-08-08 US disclosed