SCHEMBL9064265

SCHEMBL9064265

CC(C)(C(=O)O)c1ccc(CC2CCCCC2=O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.43
PTGS2 P35354 9/20 0.43
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
KDM4E B2RXH2 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9063541 0.96 PTGS2 (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL14275912 0.79 PTGS2 (0.60) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063294 0.79 LTB4R (0.43) PTGS1PTGS2CYP3A4CYP2C9CA1
SCHEMBL9139847 0.79 LTB4R (0.43) PTGS1PTGS2CYP3A4CYP2C9CA1
SCHEMBL9063843 0.77 PTGS1 (0.65) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063301 0.76 LTB4R (0.42) PTGS1PTGS2CYP3A4CYP2C9LTB4R
SCHEMBL9063864 0.76 LTB4R (0.42) PTGS1PTGS2CYP3A4CYP2C9LTB4R
SCHEMBL9063272 0.75 PTGS1 (0.50) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063265 0.75 PTGS2 (0.54) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11790868 0.73 CA1 (0.42) PTGS1PTGS2OPRK1HTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641760-B1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF HISAMITSU PHARMACEUTICAL CO (JP) 1996-11-06 EP disclosed
US-5434292-A Phenylalkanoic acid derivatives, process for producing the same and process for separating optical isomers thereof HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1995-07-18 US disclosed
EP-0641760-A1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF Hisamitsu Pharmaceutical Co., Inc. (JP) 1995-03-08 EP disclosed