SCHEMBL87868

SCHEMBL87868

C=CCc1c(CCCCCCCCCCCC)cccc1S(=O)(=O)[O-].[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
THRA known ✓ P10827 1/20 0.40
THRB known ✓ P10828 1/20 0.40
PPARG known ✓ P37231 1/20 0.37
KCNH2 Q12809 6/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
PPARA Q07869 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
MMP2 P08253 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8741724 0.90 KCNH2 (0.38) THRATHRBKCNH2BIDMCL1
SCHEMBL11143499 0.88 KCNH2 (0.36) THRATHRBKCNH2BIDMCL1
SCHEMBL10556157 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL285064 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18139166 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18140341 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18140770 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18140556 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL2232098 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18139253 0.86 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12025544-B2 Droplet particle, and method and device for producing droplet particle OSAKA UNIVERSITY (JP) 2024-07-02 US disclosed
EP-3550279-B1 METHOD FOR GENERATING DROPLET PARTICLES KIMOTO ELECTRIC CO LTD (JP) 2023-05-10 EP disclosed
US-20210223147-A1 DROPLET PARTICLE, AND METHOD AND DEVICE FOR PRODUCING DROPLET PARTICLE KIMOTO ELECTRIC CO., LTD. (JP) 2021-07-22 US disclosed
EP-3550279-A1 DROPLET PARTICLES, AND METHOD AND DEVICE FOR GENERATING DROPLET PARTICLES Kimoto Electric Co., Ltd. (JP) 2019-10-09 EP disclosed
US-8128712-B2 Process for protecting the colors of colored textile articles or for providing crease resistance to textile articles RHODIA CHIMIE (FR) 2012-03-06 US disclosed
US-20110028376-A1 PROCESS FOR PROTECTING THE COLORS OF COLORED TEXTILE ARTICLES OR FOR PROVIDING CREASE RESISTANCE TO TEXTILE ARTICLES RHODIA CHIMIE (FR) 2011-02-03 US disclosed
US-20080263788-A1 PROCESS FOR PROTECTING THE COLORS OF COLORED TEXTILE ARTICLES OR FOR PROVIDING CREASE RESISTANCE TO TEXTILE ARTICLES RHODIA CHIMIE (FR) 2008-10-30 US disclosed
US-20070191254-A1 Composition based on anionic polysaccharide for fabric care HARRISON IAN 2007-08-16 US disclosed