SCHEMBL9119592

SCHEMBL9119592

COc1ccc2cc([C@@H](C)C(N)=O)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.73
▸ AKR1C3 P42330 3/20 0.73
▸ AKR1C2 P52895 3/20 0.73
▸ PTGS1 P23219 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ CDC42 P60953 1/20 0.73
▸ RAC1 P63000 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ SLC22A6 Q4U2R8 1/20 0.73
▸ LMNA P02545 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ ALOX5 P09917 1/20 0.64
▸ RIOK2 Q9BVS4 1/20 0.59
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA4 P22748 1/20 0.59

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
SCHEMBL1478228 1.00 PTGS2 (0.73) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL30380801 1.00 PTGS2 (0.73) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL263373 1.00 PTGS2 (0.73) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL30760568 1.00 PTGS2 (0.73) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL5906550 0.86 AKR1C3 (0.88) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL42434 0.85 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL616149 0.85 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL20887114 0.85 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL215236 0.85 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL10029028 0.85 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398288-B1 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids PUETTER MEDICE CHEM PHARM (DE) 1995-10-18 — — EP disclosed
US-5380927-A Process for preparing optically active 2-aryl-alkanoic acids, in particular 2-aryl-propionic acids MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1995-01-10 — — US disclosed
US-5266723-A Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1993-11-30 — — US disclosed
EP-0398288-A2 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1990-11-22 — — EP disclosed
EP-0205215-B1 PROCESS FOR THE PREPARATION OF 2-ARYLPROPIONIC ACIDS GIST-BROCADES N.V. (NL) 1990-08-08 — — EP disclosed
EP-0205215-A2 Process for the preparation of 2-arylpropionic acids GIST-BROCADES N.V. (NL) 1986-12-17 — — EP disclosed
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