SCHEMBL4397512

SCHEMBL4397512

CCCCc1ccccc1OP(=O)(Sc1ccccc1CCCC)Sc1ccccc1CCCC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTGS2 P35354 6/20 0.38
ALOX5 P09917 1/20 0.37
PPARA Q07869 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
SCHEMBL3967989 0.94 THRA (0.48) THRATHRBPTGS2ALOX5PPARA
SCHEMBL4405740 0.94 THRA (0.48) THRATHRBPTGS2ALOX5PPARA
SCHEMBL258595 0.90 THRA (0.40) THRATHRBPTGS2ALOX5PPARA
SCHEMBL11533893 0.87 THRA (0.39) THRATHRBPTGS2ALOX5PPARA
SCHEMBL10349365 0.86 THRA (0.38) THRATHRBPTGS2ALOX5PPARA
SCHEMBL8600591 0.85 THRA (0.47) THRATHRBPTGS2ALOX5PPARA
SCHEMBL3477747 0.85 THRA (0.47) THRATHRBPTGS2ALOX5PPARA
SCHEMBL284750 0.85 THRA (0.47) THRATHRBPTGS2ALOX5PPARA
SCHEMBL5552764 0.84 L3MBTL1 (0.41) PTGS2
SCHEMBL8375499 0.82 THRA (0.45) THRATHRBPTGS2ALOX5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054491-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINTS Showa Shell Sekiyu Kabushiki Kaisha (JP) 2009-05-06 EP disclosed
US-20080234153-A1 LUBRICATING OIL COMPOSITION NIPPON OIL CORPORATION (JP) 2008-09-25 US disclosed
WO-2007129775-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINTS SHOWA SHELL SEKIYU K.K. (JP) 2007-11-15 WO disclosed