SCHEMBL1649288

SCHEMBL1649288

O=S(=O)([O-])c1cc(C2C=Cc3ccccc3C2O)ccc1C=Cc1ccccc1.[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 15)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 9/20 0.38
KDM4E B2RXH2 2/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LTA P01374 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
P2RX3 P56373 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
APEX1 P27695 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3037366 0.89 RAD1 (0.33) HTR2AHTR2CKCNH2
SCHEMBL29485574 0.89 RAD1 (0.33) HTR2AHTR2CKCNH2
SCHEMBL20531084 0.88 RAD1 (0.32) HTR2AHTR2CKCNH2
SCHEMBL31279905 0.88 HTR2A (0.33) HTR2AHTR2CKCNH2
SCHEMBL29433953 0.88 HTR2A (0.33) HTR2AHTR2CKCNH2
SCHEMBL8959368 0.79 MAOB (0.35) HPGD
SCHEMBL29539644 0.79 MAOB (0.35) HPGD
SCHEMBL1539823 0.74 TRPA1 (0.41)
SCHEMBL29833920 0.73 HTR2A (0.32) HTR2AHTR2CKCNH2
SCHEMBL28323756 0.69 CYP2D6 (0.38) HTR2A

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-20250361464-A1 PROCESS FOR TREATING A FABRIC ARTICLE PROCTER & GAMBLE (US) 2025-11-27 US disclosed
WO-2025244911-A1 PROCESS FOR TREATING A FABRIC ARTICLE THE PROCTER & GAMBLE COMPANY (US) 2025-11-27 WO disclosed
CN-105745314-B Laundry compositions 荷兰联合利华有限公司 2018-09-14 CN disclosed
CN-104884597-A Laundry compositions UNILEVER NV 2015-09-02 CN disclosed
CN-104797696-A Ingredient for use in a laundry composition UNILEVER NV 2015-07-22 CN disclosed
CN-104781381-A Laundry compositions UNILEVER NV 2015-07-15 CN disclosed
CN-104704101-A Laundry compositions UNILEVER NV 2015-06-10 CN disclosed
WO-2011047498-A1 IMPROVEMENTS TO LAUNDRY COMPOSITIONS UNILEVER PLC (GB) 2011-04-28 WO disclosed