SCHEMBL4460758

SCHEMBL4460758

CCCc1cccc(OP(C)(=O)O)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 3/20 0.42
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
INPPL1 O15357 1/20 0.36
INPP5B P32019 1/20 0.36
INPP5A Q14642 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
PPARA Q07869 2/20 0.35
ELANE P08246 1/20 0.35
PPARD Q03181 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
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
SCHEMBL5959297 0.89 INPPL1 (0.49) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL30523469 0.89 INPPL1 (0.49) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4458121 0.88 ALOX5 (0.43) LTB4RLTB4R2CYP2C19SMN1; SMN2ALOX5
SCHEMBL4460756 0.87 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4446405 0.86 LTB4R (0.41) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL11807298 0.85 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4458047 0.85 LTB4R (0.41) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4459735 0.84 LTB4R (0.40) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4446403 0.83 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4453741 0.82 LTB4R (0.44) 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