SCHEMBL28674571

SCHEMBL28674571

O=S(=O)([O-])c1ccccc1-c1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1.O=S(=O)([O-])c1ccccc1-c1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1.[Na+].[Na+]

nearest known ligand 0.38

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
PPARG known ✓ P37231 3/20 0.35
RAD51 Q06609 2/20 0.38
NFE2L2 Q16236 6/20 0.38
TRPA1 O75762 2/20 0.38
PKLR P30613 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL38569 0.90 RAD51 (0.36) RAD51NFE2L2TRPA1PKLRPPARG
SCHEMBL14484832 0.88 NFE2L2 (0.42) RAD51NFE2L2TRPA1PPARGLMNA
SCHEMBL14484833 0.88 NFE2L2 (0.42) RAD51NFE2L2TRPA1PPARGLMNA
SCHEMBL6877993 0.84 TRPA1 (0.42) NFE2L2TRPA1PPARGTRPV1LMNA
SCHEMBL27453977 0.82 RAD51 (0.48) RAD51NFE2L2TRPA1PPARGLMNA
SCHEMBL12471572 0.81 RAD51 (0.42) RAD51PKLRPTPN1
SCHEMBL3936742 0.80 NFE2L2 (0.41) RAD51NFE2L2TRPA1PPARGLMNA
(Z)-1,2-Diphenylethene SCHEMBL29093047 0.80 PTPN1 (0.43) RAD51NFE2L2PKLRPPARGTRPV1
SCHEMBL29991128 0.79 PTPN1 (0.40) RAD51NFE2L2PKLRTRPV1PTPN1
SCHEMBL2524357 0.78 NFE2L2 (0.42) RAD51NFE2L2TRPA1PPARGPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710753-A Washable heat and plasma resistant coatings for laser interactive applications 约翰·克莱昂·摩尔 2021-11-26 CN claimed
US-20250250507-A1 LAUNDRY DETERGENT COMPOSITION Tufco, L.P. 2025-08-07 US disclosed
US-12110476-B1 Laundry detergent composition Tufco, L.P. (US) 2024-10-08 US disclosed
CN-113811365-A Personal wash compositions and methods for achieving improved conditioning benefits 巴斯夫欧洲公司 2021-12-17 CN disclosed