SCHEMBL4458043

SCHEMBL4458043

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32
PPARA Q07869 1/20 0.32
PPARD Q03181 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL4453737 0.91 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4446403 0.89 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4448709 0.88 PTGS2 (0.40) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL11807298 0.85 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4458047 0.85 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4460756 0.84 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4462591 0.84 GABRA1 (0.34) ALOX5PTGS2L3MBTL1
SCHEMBL30523469 0.83 INPPL1 (0.49) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL5959297 0.83 INPPL1 (0.49) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4459847 0.82 ALOX5 (0.40) LTB4RLTB4R2ALOX5PTGS2ELANE

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