SCHEMBL4454793

SCHEMBL4454793

CCCCc1ccccc1OP(=O)(O)c1cccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 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
SCHEMBL4455052 0.92 MAPT (0.40) THRATHRBMAPTHIF1AALDH1A1
SCHEMBL4458049 0.90 MAPT (0.44) THRATHRBMAPTALOX5PTGS2
SCHEMBL4452100 0.88 MAPT (0.43) MAPTALDH1A1NPC1POLBPTK2B
SCHEMBL4454781 0.87 THRA (0.40) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4454792 0.87 MAPT (0.40) THRATHRBMAPTALOX5PTGS2
SCHEMBL4453965 0.85 ALOX5 (0.38) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4454808 0.85 PPARA (0.40) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4452137 0.85 LTB4R (0.44) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4462328 0.84 ALOX5 (0.39) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4462346 0.84 THRA (0.40) THRATHRBALOX5PTGS2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed