SCHEMBL4446405

SCHEMBL4446405

CCCc1cccc(OP(=O)(O)CC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
INPPL1 O15357 1/20 0.35
INPP5B P32019 1/20 0.35
INPP5A Q14642 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
PPARA Q07869 1/20 0.34
ELANE P08246 1/20 0.34
HTR2A P28223 2/20 0.33
PPARD Q03181 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 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
SCHEMBL4458047 0.90 LTB4R (0.41) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4459873 0.88 ALOX5 (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL5959297 0.88 INPPL1 (0.49) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL30523469 0.88 INPPL1 (0.49) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4453741 0.87 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4460758 0.86 LTB4R (0.42) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4455068 0.86 LTB4R (0.39) LTB4RLTB4R2INPPL1INPP5BINPP5A
SCHEMBL4446403 0.84 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL11807298 0.84 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL4449947 0.84 LTB4R (0.37) LTB4RLTB4R2INPPL1INPP5BINPP5A

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