SCHEMBL9697622

SCHEMBL9697622

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.82
ALOX5 P09917 2/20 0.82
RXRA P19793 2/20 0.62
RXRB P28702 2/20 0.62
RXRG P48443 2/20 0.62
CCKAR P32238 10/20 0.60
MALT1 Q9UDY8 1/20 0.53
PTGS1 P23219 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC16A3 O15427 1/20 0.51
SLC16A1 P53985 1/20 0.51

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 0.90 PTGS2 (1.00) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL9519652 0.89 PTGS2 (0.98) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519214 0.87 ALOX5 (0.83) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9522599 0.87 ALOX5 (0.83) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519177 0.86 ALOX5 (0.82) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519478 0.86 PTGS2 (0.81) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519454 0.85 ALOX5 (0.79) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL5393447 0.85 RXRA (0.84) PTGS2ALOX5RXRARXRBRXRG
SCHEMBL9519465 0.85 PTGS2 (0.79) PTGS2ALOX5RXRARXRBRXRG
Tepoxalin SCHEMBL28256087 0.84 ALOX5 (0.87) PTGS2ALOX5RXRARXRBRXRG

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

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