SCHEMBL4462344

SCHEMBL4462344

CCCCc1ccccc1OP(=O)(Oc1ccccc1CCCC)c1cccc(CC)c1CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
HIF1A Q16665 1/20 0.37
PPARA Q07869 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PPARG P37231 1/20 0.35
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL4449869 0.92 LTB4R (0.38) THRATHRBHIF1ALTB4RLTB4R2
SCHEMBL4454779 0.90 LTB4R (0.39) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4462323 0.89 PTGS2 (0.38) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4451592 0.89 PTGS2 (0.38) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4460847 0.89 L3MBTL1 (0.40) HIF1A
SCHEMBL4449253 0.88 LTB4R (0.43) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4452131 0.88 LTB4R (0.43) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4462346 0.87 THRA (0.40) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4454792 0.85 MAPT (0.40) THRATHRBPTGS2ALOX5HIF1A
SCHEMBL4452104 0.84 LTB4R (0.39) THRATHRBPTGS2ALOX5HIF1A

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