SCHEMBL4455068

SCHEMBL4455068

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SRC P12931 2/20 0.33
PPARD Q03181 2/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
INPPL1 O15357 1/20 0.32
INPP5B P32019 1/20 0.32
INPP5A Q14642 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 1/20 0.32
PPARA Q07869 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
SCHEMBL4451542 0.90 ALOX5 (0.39) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4449947 0.87 LTB4R (0.37) LTB4RLTB4R2CTSLCTSSCTSK
SCHEMBL4446405 0.86 LTB4R (0.41) LTB4RLTB4R2PPARDALOX5PTGS2
SCHEMBL4454583 0.85 LTB4R (0.41) LTB4RLTB4R2PPARDPPARATHRA
SCHEMBL4458020 0.85 SRC (0.35) SRCINPPL1INPP5BINPP5AMAPT
SCHEMBL4458047 0.85 LTB4R (0.41) LTB4RLTB4R2PPARDALOX5PTGS2
SCHEMBL4459735 0.83 LTB4R (0.40) LTB4RLTB4R2CTSLCTSSCTSK
SCHEMBL30523469 0.83 INPPL1 (0.49) LTB4RLTB4R2SRCALOX5PTGS2
SCHEMBL5959297 0.83 INPPL1 (0.49) LTB4RLTB4R2SRCALOX5PTGS2
SCHEMBL4453741 0.82 LTB4R (0.44) LTB4RLTB4R2PPARDALOX5PTGS2

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