SCHEMBL263373

SCHEMBL263373

COc1ccc2cc(C(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
SCHEMBL9119592 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
SCHEMBL5534049 0.85 PTGS2 (0.81) 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867572-A proteasome inhibitors and methods of use thereof CEPHALON INC (US) 2006-11-22 CN claimed
EP-0549710-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERIC 2-ALKANOIC ACIDS DU PONT (US) 1996-02-28 EP claimed
EP-0549710-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERIC 2-ALKANOIC ACIDS. DU PONT (US) 1993-07-07 EP claimed
EP-0537259-A1 PROCESS FOR PRODUCING ENANTIOMERS OF 2-ARYL-ALKANOIC ACIDS NOVO NORDISK A/S (DK) 1993-04-21 EP claimed
WO-1992005275-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERIC 2-ALKANOIC ACIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO claimed
WO-1992001062-A1 PROCESS FOR PRODUCING ENANTIOMERS OF 2-ARYL-ALKANOIC ACIDS NOVO NORDISK A/S (DK) 1992-01-23 WO claimed
EP-0386848-A1 Novel Exophiala species GIST-BROCADES N.V. (NL) 1990-09-12 EP claimed
US-4347373-A Derivatives of 4-methyl-5-[(2-aminoethyl)-thiomethyl]-imidazole TURCONI FRANCO 1982-08-31 US claimed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US claimed
CN-112299938-B Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-12-28 CN disclosed
CN-112299938-A Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-02-02 CN disclosed
EP-1913011-B1 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS INC (US) 2016-11-02 EP disclosed
EP-1789553-B1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE ALNYLAM PHARMACEUTICALS INC (US) 2014-03-26 EP disclosed
US-8470988-B2 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety ALNYLAM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 EP disclosed
EP-0205215-B1 PROCESS FOR THE PREPARATION OF 2-ARYLPROPIONIC ACIDS GIST-BROCADES N.V. (NL) 1990-08-08 EP disclosed
EP-0182279-B1 PROCESS FOR THE OPTICAL RESOLUTION OF RACEMIC MIXTURES OF ALPHA-NAPHTYL-PROPIONIC ACIDS ALFA WASSERMANN S.p.A. (IT) 1990-02-28 EP disclosed
EP-0205215-A2 Process for the preparation of 2-arylpropionic acids GIST-BROCADES N.V. (NL) 1986-12-17 EP disclosed
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed