SCHEMBL4449947

SCHEMBL4449947

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
AOX1 Q06278 1/20 0.35
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SRC P12931 2/20 0.32
CETP P11597 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR1A P08908 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
ELANE P08246 1/20 0.30
INPPL1 O15357 1/20 0.30
INPP5B P32019 1/20 0.30
INPP5A Q14642 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL4454583 0.93 LTB4R (0.41) LTB4RLTB4R2CETPPPARA
SCHEMBL4450349 0.90 ALOX5 (0.37) LTB4RLTB4R2AOX1CETPHTR2A
SCHEMBL4458047 0.88 LTB4R (0.41) LTB4RLTB4R2CETPHTR2AHTR2C
SCHEMBL4455068 0.87 LTB4R (0.39) LTB4RLTB4R2CTSLCTSSCTSK
SCHEMBL4448502 0.85 AOX1 (0.38) AOX1SRCCETPHTR2AHTR2C
SCHEMBL4453741 0.85 LTB4R (0.44) LTB4RLTB4R2CETPHTR2AHTR2C
SCHEMBL4454722 0.84 PPARA (0.38) LTB4RLTB4R2CETPHTR2AHTR2C
SCHEMBL4446405 0.84 LTB4R (0.41) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL4459735 0.81 LTB4R (0.40) LTB4RLTB4R2CTSLCTSSCTSK
SCHEMBL30523469 0.81 INPPL1 (0.49) LTB4RLTB4R2SRCHTR2AHTR2C

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