SCHEMBL4454792

SCHEMBL4454792

CCCCc1ccccc1OP(=O)(Oc1ccccc1CCCC)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
HIF1A Q16665 1/20 0.36
PPARA Q07869 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 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
SCHEMBL4455050 0.92 MAPT (0.42) MAPTHIF1ALMNAGAAMAPK1
SCHEMBL4454779 0.89 LTB4R (0.39) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4452099 0.88 MAPT (0.45) MAPTLMNAGAAMAPK1HTT
SCHEMBL4454793 0.87 THRA (0.39) MAPTTHRATHRBALOX5PTGS2
SCHEMBL4452131 0.87 LTB4R (0.43) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4462344 0.85 THRA (0.39) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4462323 0.85 PTGS2 (0.38) MAPTTHRATHRBALOX5PTGS2
SCHEMBL4449253 0.84 LTB4R (0.43) THRATHRBALOX5PTGS2HIF1A
SCHEMBL4454807 0.84 LTB4R (0.38) MAPTTHRATHRBALOX5PTGS2
SCHEMBL4453555 0.81 LTB4R (0.39) 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