SCHEMBL5404188

SCHEMBL5404188

CCSOc1ccccc1C(=O)[O-].[Hg].[Na+]

nearest known ligand 0.42

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
PTGS1 known ✓ P23219 1/20 0.34
PTGS2 known ✓ P35354 1/20 0.34
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.37
LTB4R Q15722 3/20 0.37
LTB4R2 Q9NPC1 3/20 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
SCHEMBL9217136 0.83 KDM4E (0.51) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL2964438 0.81 KDM4E (0.53) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL714867 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL5709037 0.76 HCRTR1 (0.60) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL31721706 0.76 HCRTR1 (0.60) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL2844163 0.75 KDM4E (0.43) ALDH1A1KDM4EHPGDTSHRLTB4R
SCHEMBL25233457 0.73 LMNA (0.58) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL2514158 0.73 CTSD (0.56) ALDH1A1KDM4EHPGDMAPTTSHR
Zinc Ion SCHEMBL29424296 0.73 HCRTR1 (0.60) ALDH1A1KDM4EHPGDLMNAMEN1
Zinc Ion SCHEMBL2003364 0.73 HCRTR1 (0.60) ALDH1A1KDM4EHPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186045-B2 Device and method for applying a cosmetic product L'OREAL S.A. (FR) 2007-03-06 US disclosed
US-20040247373-A1 Device and method for applying a cosmetic product L'OREAL (FR) 2004-12-09 US disclosed
US-20010031168-A1 Packaging and applicator device including a porous structure incorporating a biocidal agent L'OREAL S.A. (FR) 2001-10-18 US disclosed