SCHEMBL6650280

SCHEMBL6650280

CCCCCCCCSCc1cc(CSCCCCCCCC)c(O)c(CSCCCCCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
PTGS2 P35354 3/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
CYP2C9 P11712 2/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6654287 1.00 TYR (0.43) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL39524 0.95 TYR (0.43) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL2027319 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL34981 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL29370365 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL2033663 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL14998827 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL2033866 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL6057474 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9
SCHEMBL29370252 0.91 SHBG (0.40) TYRPTGS2ESR1ESR2CYP2C9

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
EP-1146038-B1 Novel antioxidant and method of producing the same KUMHO MONSANTO INC (KR) 2004-06-16 EP disclosed
EP-1146038-A1 Novel antioxidant and method of producing the same Kumho Monsanto, Inc. (KR) 2001-10-17 EP disclosed
EP-0499453-B1 A process for the production of ashless antiwear-antioxidant lubricating oil additive and lubricating oil containing the same TEXACO DEVELOPMENT CORP (US) 1996-06-05 EP disclosed
US-5405544-A Beta-hydroxyalkyl-bis(alkylthiomethylphenyl) dithiophosphate esters TEXACO INC. (US) 1995-04-11 US disclosed
EP-0499453-A1 A process for the production of ashless antiwear-antioxidant lubricating oil additive and lubricating oil containing the same TEXACO DEVELOPMENT CORPORATION (US) 1992-08-19 EP disclosed