SCHEMBL8322848

SCHEMBL8322848

C=CC(=O)NCC(C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.42

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 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TGM2 P21980 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
SCHEMBL687556 0.81 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28692758 0.80 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28479385 0.80 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8715135 0.79 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2809548 0.79 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1421678 0.77 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
Lithium Ion SCHEMBL9625585 0.76 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Potassium Ion SCHEMBL29814373 0.76 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Potassium Ion SCHEMBL5033982 0.76 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28826231 0.76 TSHR (0.36) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038035-A1 FIBER STRUCTURE TORAY INDUSTRIES, INC. (JP) 2015-02-05 US claimed
EP-2821535-A1 FIBER STRUCTURE Toray Industries, Inc. (JP) 2015-01-07 EP claimed
US-5912109-A PHOTOGRAPHIC FILM; ANTIMONY DOPED TIN OXIDE EASTMAN KODAK COMPANY (US) 1999-06-15 US claimed
US-5905021-A Imaging element comprising an electrically-conductive layer containing conductive fine particles and water-insoluble polymer particles containing sulfonic acid groups EASTMAN KODAK COMPANY (US) 1999-05-18 US claimed
EP-0789267-A1 Imaging element comprising an electrically-conductive layer EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1997-08-13 EP claimed
EP-0789268-A1 Imaging element comprising an electrically-conductive layer EASTMAN KODAK COMPANY (US) 1997-08-13 EP claimed
US-11807023-B2 Pretreatment liquid, ink set, image recorded material, base material for image recording, method of producing base material for image recording, and image recording method FUJIFILM CORPORATION (JP) 2023-11-07 US disclosed
EP-3778249-A1 PRETREATMENT LIQUID, INK SET, IMAGE RECORDED MATERIAL, SUBSTRATE FOR IMAGE RECORDING, MANUFACTURING METHOD OF SUBSTRATE FOR IMAGE RECORDING, AND IMAGE RECORDING METHOD Fujifilm Corporation (JP) 2021-02-17 EP disclosed
US-20200376877-A1 PRETREATMENT LIQUID, INK SET, IMAGE RECORDED MATERIAL, BASE MATERIAL FOR IMAGE RECORDING, METHOD OF PRODUCING BASE MATERIAL FOR IMAGE RECORDING, AND IMAGE RECORDING METHOD FUJIFILM CORPORATION (JP) 2020-12-03 US disclosed
CN-107429096-B Ink set and image forming method 富士胶片株式会社 2020-11-17 CN disclosed
US-20150038035-A1 FIBER STRUCTURE TORAY INDUSTRIES, INC. (JP) 2015-02-05 US disclosed
EP-2821535-A1 FIBER STRUCTURE Toray Industries, Inc. (JP) 2015-01-07 EP disclosed
EP-0161763-A1 Water swellable copolymers having high water absorbency Pony Industries Incorporated (US) 1985-11-21 EP disclosed