SCHEMBL2728772

SCHEMBL2728772

CCCCc1ccccc1OP(O)(O)=S

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
LIPG Q9Y5X9 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
CETP P11597 1/20 0.36

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
SCHEMBL3997456 0.94 THRA (0.56) THRATHRBALOX5PTGS2LIPG
SCHEMBL17353573 0.94 THRA (0.56) THRATHRBALOX5PTGS2LIPG
SCHEMBL28929287 0.90 THRA (0.40) THRATHRBALOX5PTGS2
SCHEMBL999141 0.87 THRA (0.46) THRATHRBALOX5PTGS2LIPG
SCHEMBL29829780 0.86 THRA (0.47) THRATHRBALOX5PTGS2LIPG
SCHEMBL258596 0.86 THRA (0.47) THRATHRBALOX5PTGS2LIPG
Hydrogen Sulfide SCHEMBL4609016 0.86 THRA (0.45) THRATHRBALOX5PTGS2LIPG
Water SCHEMBL27918093 0.86 THRA (0.45) THRATHRBALOX5PTGS2LIPG
Water SCHEMBL27610759 0.84 THRA (0.44) THRATHRBALOX5PTGS2LIPG
SCHEMBL9821348 0.83 THRA (0.44) THRATHRBALOX5PTGS2LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041416-B Lubricating oil composition 丰田自动车株式会社 2022-09-06 CN disclosed
CN-114867827-A Lubricating oil composition for automobile gears 壳牌润滑油日本株式会社 2022-08-05 CN disclosed
CN-113631692-A Grease composition 出光兴产株式会社 2021-11-09 CN disclosed
CN-105164238-B Lubricating oil composition 出光兴产株式会社 2021-06-29 CN disclosed
CN-112041416-A Lubricating oil composition 丰田自动车株式会社 2020-12-04 CN disclosed
WO-2012058204-A1 HIGH VISCOSITY NOVEL BASE STOCK LUBRICANT VISCOSITY BLENDS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-05-03 WO disclosed