SCHEMBL9063538

SCHEMBL9063538

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.57
▸ PTGS2 P35354 10/20 0.57
▸ OPRK1 P41145 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC6A3 Q01959 4/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 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
SCHEMBL9064262 0.97 PTGS1 (0.56) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063738 0.87 PTGS2 (0.66) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063843 0.84 PTGS1 (0.65) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL15691258 0.81 PTGS2 (0.74) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL8754905 0.81 PTGS2 (0.74) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063265 0.80 PTGS2 (0.54) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063299 0.79 PTGS1 (0.50) PTGS1PTGS2SLC6A3SLC6A2SLC6A4
SCHEMBL9063293 0.79 PTGS1 (0.47) PTGS1PTGS2SLC6A3SLC6A2SLC6A4
SCHEMBL9063862 0.79 PTGS1 (0.50) PTGS1PTGS2SLC6A3SLC6A2SLC6A4
SCHEMBL9063788 0.79 PTGS1 (0.47) PTGS1PTGS2SLC6A3SLC6A2SLC6A4

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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