SCHEMBL9025975

SCHEMBL9025975

CCc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.51
PTGS1 P23219 5/20 0.47
NR4A2 P43354 1/20 0.39

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
SCHEMBL7506375 0.91 PTGS2 (0.51) PTGS2PTGS1NR4A2
SCHEMBL7506922 0.89 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7504045 0.87 PTGS2 (0.52) PTGS2PTGS1NR4A2
SCHEMBL7501033 0.86 PTGS2 (0.51) PTGS2PTGS1NR4A2
SCHEMBL7500555 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL9025618 0.86 PTGS2 (0.48) PTGS2PTGS1NR4A2
SCHEMBL7506543 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7511037 0.85 RXRA (0.53) PTGS2PTGS1NR4A2
SCHEMBL7505741 0.85 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL9026802 0.85 PTGS2 (0.57) PTGS2PTGS1NR4A2

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-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed