SCHEMBL4453737

SCHEMBL4453737

CCCCP(=O)(Oc1cccc(CCC)c1CCC)Oc1cccc(CCC)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL4459847 0.91 ALOX5 (0.40) LTB4RLTB4R2TSHRALOX5PTGS2
SCHEMBL4458043 0.91 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4446403 0.86 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4453741 0.86 LTB4R (0.44) LTB4RLTB4R2TSHRALOX5PTGS2
SCHEMBL4448709 0.85 PTGS2 (0.40) LTB4RLTB4R2TSHRALOX5PTGS2
SCHEMBL4454813 0.85 TSHR (0.39) TSHRALOX5PTGS2PPARAPPARG
SCHEMBL11807298 0.83 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4460756 0.81 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4459871 0.81 ALOX5 (0.41) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL30523469 0.80 INPPL1 (0.49) LTB4RLTB4R2ALOX5PTGS2PPARA

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