SCHEMBL4454583

SCHEMBL4454583

CCCc1cccc(OP(=O)(O)CCCC=O)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
CETP P11597 4/20 0.36
PPARA Q07869 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PPARD Q03181 1/20 0.33
PPARG P37231 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
SCHEMBL4449947 0.93 LTB4R (0.37) LTB4RLTB4R2CETPPPARA
SCHEMBL4454722 0.92 PPARA (0.38) LTB4RLTB4R2CETPPPARATHRA
SCHEMBL4453741 0.89 LTB4R (0.44) LTB4RLTB4R2CETPPPARATHRA
SCHEMBL4455501 0.86 CETP (0.35) CETPPPARATHRATHRB
SCHEMBL4458047 0.86 LTB4R (0.41) LTB4RLTB4R2CETPPPARAPPARD
SCHEMBL4450349 0.85 ALOX5 (0.37) LTB4RLTB4R2CETPPPARATHRA
SCHEMBL4455068 0.85 LTB4R (0.39) LTB4RLTB4R2PPARATHRATHRB
SCHEMBL4446405 0.82 LTB4R (0.41) LTB4RLTB4R2PPARAPPARD
SCHEMBL4459849 0.81 PPARA (0.43) LTB4RLTB4R2CETPPPARATHRA
SCHEMBL4459735 0.79 LTB4R (0.40) LTB4RLTB4R2PPARATHRATHRB

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