SCHEMBL9063540

SCHEMBL9063540

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.51
▸ PTGS2 P35354 11/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ AKR1C3 P42330 6/20 0.42
▸ AKR1C2 P52895 6/20 0.42
▸ AKR1C1 Q04828 1/20 0.38

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
SCHEMBL9063272 0.97 PTGS1 (0.50) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063738 0.86 PTGS2 (0.66) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063843 0.83 PTGS1 (0.65) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063265 0.79 PTGS2 (0.54) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063538 0.79 PTGS1 (0.57) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063254 0.78 PTGS1 (0.48) PTGS1PTGS2AKR1C3AKR1C2AKR1C1
SCHEMBL9063300 0.78 PTGS1 (0.51) PTGS1PTGS2AKR1C3AKR1C2AKR1C1
SCHEMBL9140309 0.76 AKR1C3 (0.39) PTGS1PTGS2AKR1C3AKR1C2AKR1C1
SCHEMBL9063813 0.76 PTGS2 (0.57) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9064262 0.76 PTGS1 (0.56) 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
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