SCHEMBL4460756

SCHEMBL4460756

CCCc1cccc(OP(C)(=O)Oc2cccc(CCC)c2CCC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARA Q07869 2/20 0.33
ELANE P08246 1/20 0.33
PPARD Q03181 1/20 0.33
PPARG P37231 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL11807298 0.88 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4460758 0.87 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4458117 0.87 ALOX5 (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4446403 0.85 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL30523469 0.85 INPPL1 (0.49) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL5959297 0.85 INPPL1 (0.49) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4458043 0.84 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
Zinc Ion SCHEMBL2042122 0.84 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4446405 0.83 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4446208 0.82 GABRA1 (0.39) HTR1A

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