SCHEMBL9063301

SCHEMBL9063301

CC(C)(C(=O)O)c1ccc(C[C@@H]2CCC[C@H]2O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.42
LTB4R2 Q9NPC1 7/20 0.42
PTGS1 P23219 11/20 0.41
PTGS2 P35354 10/20 0.41
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL9063864 1.00 LTB4R (0.42) LTB4RLTB4R2PTGS1PTGS2MT-CO1
SCHEMBL9139847 0.98 LTB4R (0.43) LTB4RLTB4R2PTGS1PTGS2MT-CO1
SCHEMBL9063294 0.98 LTB4R (0.43) LTB4RLTB4R2PTGS1PTGS2MT-CO1
SCHEMBL9063541 0.77 PTGS2 (0.44) LTB4RLTB4R2PTGS1PTGS2CYP3A4
SCHEMBL9063302 0.77 PTGS1 (0.64) PTGS1PTGS2MT-CO1MT-CO2AKR1C3
SCHEMBL9063283 0.77 PTGS1 (0.64) PTGS1PTGS2MT-CO1MT-CO2AKR1C3
SCHEMBL9063281 0.77 PTGS1 (0.64) PTGS1PTGS2MT-CO1MT-CO2AKR1C3
SCHEMBL9064265 0.76 PTGS1 (0.43) LTB4RLTB4R2PTGS1PTGS2CYP3A4
SCHEMBL9064202 0.76 AKR1C3 (0.44) LTB4RLTB4R2AKR1C3AKR1C2
SCHEMBL9063532 0.74 PTGS1 (0.61) PTGS1PTGS2MT-CO1MT-CO2AKR1C3

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