SCHEMBL9522599

SCHEMBL9522599

COc1ccc(-n2nc(CCC(=O)N(O)C(C)=O)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.83
PTGS2 P35354 2/20 0.83
RXRA P19793 2/20 0.63
RXRB P28702 2/20 0.63
RXRG P48443 2/20 0.63
CCKAR P32238 12/20 0.61
PTGS1 P23219 1/20 0.56
MALT1 Q9UDY8 2/20 0.54

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
Tepoxalin SCHEMBL75441 0.91 PTGS2 (1.00) ALOX5PTGS2RXRARXRBRXRG
Tepoxalin SCHEMBL9519652 0.90 PTGS2 (0.98) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9522282 0.89 PTGS2 (0.77) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9519214 0.88 ALOX5 (0.83) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9519465 0.88 PTGS2 (0.79) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9519177 0.87 ALOX5 (0.82) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9697622 0.87 PTGS2 (0.82) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9519478 0.87 PTGS2 (0.81) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9519454 0.86 ALOX5 (0.79) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9519735 0.86 ALOX5 (0.73) ALOX5PTGS2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP disclosed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US disclosed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US disclosed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP disclosed