SCHEMBL9716290

SCHEMBL9716290

COc1ccc2cc(C(C)C(=O)O)ccc2c1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.58
AKR1C2 P52895 12/20 0.58
PTGS2 P35354 3/20 0.58
PTGS1 P23219 2/20 0.58
CDC42 P60953 1/20 0.58
RAC1 P63000 1/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
AKR1B1 P15121 1/20 0.53
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL9486872 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11743050 0.88 MT-CO2 (0.47) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9867902 0.85 SLC6A4 (0.43) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9867877 0.85 SLC6A4 (0.43) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9867894 0.85 SLC6A4 (0.43) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11805455 0.83 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11802747 0.83 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9116873 0.83 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL4380166 0.83 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL4380164 0.83 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095901-B1 PROCESS FOR THE PREPARATION OF (D) 2-(D-METHOXY-2-NAPHTHYL) PROPIONIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND NEW INTERMEDIATES THEREFOR SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1992-09-09 EP disclosed
US-5023365-A Process for preparing an intermediate ZAMBON GROUP S.P.A. (IT) 1991-06-11 US disclosed
EP-0254971-B1 CARBOXYLIC ACID SYNTHESIS PROCESS ZAMBON S.p.A. (IT) 1991-05-02 EP disclosed
US-4937379-A Carboxylic acid synthesis process ZAMBON S.P.A. (IT) 1990-06-26 US disclosed
EP-0254971-A1 Carboxylic acid synthesis process ZAMBON S.p.A. (IT) 1988-02-03 EP disclosed
US-4723033-A REACTING ALPHA METAL ACID DERIVATIVE AND ARYL HALIDE WITH OPTICALLY ACTIVE CATALYST SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1988-02-02 US disclosed
EP-0110671-B1 PREPARATION OF OPTICALLY ACTIVE ALPHA-ARYLALKANOIC ACIDS AND PRECURSORS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-05-21 EP disclosed
EP-0110671-A1 Preparation of optically active alpha-arylalkanoic acids and precursors thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1984-06-13 EP disclosed
EP-0095901-A1 Process for the preparation of (d) 2-(d-methoxy-2-naphthyl) propionic acid and pharmaceutically acceptable salts thereof and new intermediates therefor SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-12-07 EP disclosed
US-3994968-A 2-(5'-Halo-6'-methoxynaphth-2'-yl)-acrylic acid SYNTEX CORPORATION (PM) 1976-11-30 US disclosed
US-3960957-A 2-(6'-methoxynaphth-2'yl) propionaldoxime and 5'-halo derivatives thereof SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 US disclosed