SCHEMBL82226

SCHEMBL82226

CCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.52

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 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.52
FAAH O00519 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
PPARA Q07869 2/20 0.41
FABP3 P05413 3/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL8388882 1.00 EPHX2 (0.52) EPHX2FAAHTRPV1PPARAFABP3
Potassium Ion SCHEMBL1820922 0.97 EPHX2 (0.49) EPHX2FAAHTRPV1PPARAFABP3
SCHEMBL1728405 0.90 S1PR2 (0.46) EPHX2FAAHS1PR2S1PR1S1PR3
SCHEMBL30343169 0.90 S1PR2 (0.46) EPHX2FAAHS1PR2S1PR1S1PR3
SCHEMBL713063 0.90 S1PR2 (0.46) EPHX2FAAHS1PR2S1PR1S1PR3
SCHEMBL625084 0.90 S1PR2 (0.46) EPHX2FAAHS1PR2S1PR1S1PR3
SCHEMBL6402056 0.88 S1PR2 (0.43) EPHX2FAAHS1PR2S1PR1S1PR3
SCHEMBL757909 0.83 EPHX2 (0.54) EPHX2FAAHTRPV1PPARAS1PR2
SCHEMBL757911 0.83 EPHX2 (0.54) EPHX2FAAHTRPV1PPARAS1PR2
SCHEMBL8743387 0.83 EPHX2 (0.54) EPHX2FAAHTRPV1PPARAS1PR2

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 1735 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12414566-B2 Safener containing herbicidal oil dispersion ARYSTA LIFESCIENCE INC. (US) 2025-09-16 US claimed
US-20240245052-A1 A COMPOSITE SYSTEM FOR AGRICULTURE UPL LIMITED (IN) 2024-07-25 US claimed
EP-4377417-A1 A COMPOSITE SYSTEM FOR AGRICULTURE UPL Ltd. (IN) 2024-06-05 EP claimed
US-11877574-B2 Herbicidal oil dispersion and method ARYSTA LIFESCIENCE INC. (US) 2024-01-23 US claimed
WO-2023007449-A1 A COMPOSITE SYSTEM FOR AGRICULTURE UPL LIMITED (IN) 2023-02-02 WO claimed
US-20220125054-A1 SAFENER CONTAINING HERBICIDAL OIL DISPERSION ARYSTA LIFESCIENCE INC. 2022-04-28 US claimed
US-11160281-B2 Safener containing herbicidal oil dispersion ARYSTA LIFESCIENCE INC. (US) 2021-11-02 US claimed
WO-2020055878-A1 HERBICIDAL OIL DISPERSION AND METHOD ARYSTA LIFESCIENCE INC. (US) 2020-03-19 WO claimed
US-20200077645-A1 HERBICIDAL OIL DISPERSION AND METHOD ARYSTA LIFESCIENCE INC. (US) 2020-03-12 US claimed
WO-2018222726-A1 SAFENER CONTAINING HERBICIDAL OIL DISPERSION ARYSTA LIFESCIENCE INC. (US) 2018-12-06 WO claimed
EP-0526068-B1 Phthalocyanine pigment compositions CIBA GEIGY AG (CH) 1998-12-30 EP claimed
US-5730973-A PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-03-24 US claimed
EP-0400657-B1 Process for developing of ps plates requiring no dampening water FUJI PHOTO FILM CO LTD (JP) 1996-03-27 EP claimed
US-5464502-A Anionic sulfonate surfactants in the washing and pulping operation BETZ PAPERCHEM, INC. (US) 1995-11-07 US claimed
US-5290665-A Process for developing PS plate requiring no dampening water wherein the developer comprises, water, a solubilizer and an ethylene glycol mono(alkyl C6 -C8) ether derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-03-01 US claimed
US-5279654-A Mixture with anionic surfactant CIBA-GEIGY CORPORATION (US) 1994-01-18 US claimed
EP-0526068-A2 Phthalocyanine pigment compositions CIBA-GEIGY AG (CH) 1993-02-03 EP claimed
EP-0139843-B1 LIQUID MAGNESIUM-CONTAINING FORMULATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-18 EP claimed
EP-0400657-A2 Process for developing of ps plates requiring no dampening water Fuji Photo Film Co., Ltd. (JP) 1990-12-05 EP claimed
US-4654386-A SIZING CELLULOSE FIBERS, PARTICULARY PAPER DIC-HERCULES CHEMICALS, INC. (JP) 1987-03-31 US claimed