SCHEMBL9520508

SCHEMBL9520508

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

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.83
PTGS2 P35354 1/20 0.83
CCKAR P32238 10/20 0.64
RXRA P19793 2/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
PTGS1 P23219 1/20 0.56

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) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9519062 0.91 PTGS2 (0.81) ALOX5PTGS2CCKARRXRARXRB
Tepoxalin SCHEMBL9519652 0.90 PTGS2 (0.98) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9695677 0.88 RXRA (0.74) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9466052 0.85 PTGS2 (0.72) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL6314914 0.85 PTGS2 (0.69) ALOX5PTGS2PTGS1
Tepoxalin SCHEMBL28256087 0.85 ALOX5 (0.87) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9149353 0.84 PTGS2 (0.60) ALOX5PTGS2CCKARPTGS1
SCHEMBL9519214 0.82 ALOX5 (0.83) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9522599 0.82 ALOX5 (0.83) ALOX5PTGS2CCKARRXRARXRB

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 2 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 claimed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US claimed