SCHEMBL4453741

SCHEMBL4453741

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
CETP P11597 5/20 0.42
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.39
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARD Q03181 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL4459849 0.92 PPARA (0.43) LTB4RLTB4R2CETPPPARAPPARG
SCHEMBL4458047 0.92 LTB4R (0.41) LTB4RLTB4R2CETPPPARAALOX5
SCHEMBL4454583 0.89 LTB4R (0.41) LTB4RLTB4R2CETPPPARAPPARG
SCHEMBL4446405 0.87 LTB4R (0.41) LTB4RLTB4R2PPARAALOX5PTGS2
SCHEMBL4448711 0.86 ALOX5 (0.41) LTB4RLTB4R2CETPPPARAPPARG
SCHEMBL4454814 0.86 CETP (0.44) CETPPPARAPPARGTSHRALOX5
SCHEMBL4453737 0.86 LTB4R (0.41) LTB4RLTB4R2PPARAPPARGTSHR
SCHEMBL4449947 0.85 LTB4R (0.37) LTB4RLTB4R2CETPPPARAALOX5
SCHEMBL30523469 0.84 INPPL1 (0.49) LTB4RLTB4R2PPARAALOX5PTGS2
SCHEMBL5959297 0.84 INPPL1 (0.49) LTB4RLTB4R2PPARAALOX5PTGS2

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