SCHEMBL8520539

SCHEMBL8520539

CS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(=O)O)cc3)cc2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARG P13631 8/20 0.80
RXRA P19793 8/20 0.80
RARA P10276 5/20 0.80
RARB P10826 5/20 0.80
PTGS2 P35354 10/20 0.64
ALOX5 P09917 1/20 0.56
CYP2C9 P11712 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
SCHEMBL9038078 0.94 PTGS2 (0.74) RARGRXRARARARARBPTGS2
SCHEMBL9038988 0.94 PTGS2 (0.74) RARGRXRARARARARBPTGS2
SCHEMBL16034261 0.89 RXRA (1.00) RARGRXRARARARARBPTGS2
SCHEMBL8112582 0.88 PTGS2 (0.73) RARGRXRARARARARBPTGS2
SCHEMBL5215929 0.86 PTGS2 (0.82) RARGRXRARARARARBPTGS2
SCHEMBL9049040 0.84 PTGS2 (0.67) RARGRXRARARARARBPTGS2
SCHEMBL8925594 0.84 RARG (0.60) RARGRXRARARARARBPTGS2
SCHEMBL8925277 0.84 PTGS2 (0.79) RARGRXRARARARARBPTGS2
SCHEMBL8420247 0.84 CYP2C9 (0.71) RARGRXRARARARARBPTGS2
SCHEMBL9038810 0.84 RARG (0.69) RARGRXRARARARARBPTGS2

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
US-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed
US-5434178-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G.D. SEARLE & CO. (US) 1995-07-18 US disclosed