SCHEMBL9063738

SCHEMBL9063738

CC(C(=O)O)c1ccc(CC2CCCC2=O)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.66
▸ PTGS1 P23219 15/20 0.66
▸ OPRK1 P41145 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ CHRM1 P11229 1/20 0.43
▸ MT-CO1 P00395 1/20 0.41
▸ MT-CO2 P00403 1/20 0.41

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
SCHEMBL9063843 0.96 PTGS1 (0.65) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9063538 0.87 PTGS1 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL28456244 0.87 PTGS1 (0.67) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL28456243 0.87 PTGS1 (0.67) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL30819053 0.87 PTGS1 (0.67) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9063540 0.86 PTGS1 (0.51) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9064262 0.84 PTGS1 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9063265 0.83 PTGS2 (0.54) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9063272 0.83 PTGS1 (0.50) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL11188335 0.81 PTGS1 (0.48) PTGS2PTGS1OPRK1HTTKMT2A

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
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