SCHEMBL9397351

SCHEMBL9397351

C=C(C)C(=O)OC.O=S(=O)([O-])C=Cc1ccccc1.[Na+]

nearest known ligand 0.44

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 13)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 4/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.41
NFE2L2 Q16236 2/20 0.40
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
CMA1 P23946 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
Methacrylic Acid SCHEMBL5087538 0.97 PPARG (0.41) PPARGHTTALDH1A1LMNANFE2L2
SCHEMBL28298872 0.89 PPARG (0.45) PPARGHTTALDH1A1LMNANFE2L2
Methacrylic Acid SCHEMBL38651194 0.87 TDP1 (0.44) PPARGHTTALDH1A1LMNANFE2L2
Methacrylic Acid SCHEMBL7732677 0.85 GLA (0.43) PPARGHTTALDH1A1LMNANFE2L2
Methacrylic Acid SCHEMBL7729849 0.84 HTT (0.42) PPARGHTTALDH1A1LMNANFE2L2
(Z)-1,2-Diphenylethene SCHEMBL5875859 0.83 ALDH1A1 (0.56) HTTALDH1A1LMNAGLATDP1
(Z)-1,2-Diphenylethene SCHEMBL5875864 0.83 ALDH1A1 (0.56) HTTALDH1A1LMNAGLATDP1
SCHEMBL27968511 0.83 PPARG (0.38) PPARGHTTALDH1A1LMNANFE2L2
SCHEMBL10491653 0.82 PPARG (0.37) PPARGHTTALDH1A1LMNANFE2L2
SCHEMBL10491730 0.82 PPARG (0.37) PPARGHTTALDH1A1LMNANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108700580-A The detection method of additive, surface conditioning agent, surface modified latex particle, the manufacturing method of surface modified latex particle, latex agglutination reaction reagent, kit and target substance JSR株式会社 2018-10-23 CN disclosed
EP-0288059-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1994-02-23 EP disclosed
US-5153115-A A backing or subbing antistatic layer comprising an acrylic ester, amide or ketone having ether, amine and/or sulfide groups; high-speed, automatic development protection FUJI PHOTO FILM CO., LTD. (JP) 1992-10-06 US disclosed
EP-0401826-A1 Silver halide photographic materials and method for manufacture thereof FUJI PHOTO FILM CO., LTD. (JP) 1990-12-12 EP disclosed
US-4943520-A SUBBING LAYER OF POLYOLS; ENDCAPPED POLYETHERS FUJI PHOTO FILM CO., LTD. (JP) 1990-07-24 US disclosed