SCHEMBL9026802

SCHEMBL9026802

CCc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
PTGS1 P23219 3/20 0.47
NR4A2 P43354 6/20 0.45
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42

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
SCHEMBL7502011 0.93 PTGS2 (0.66) PTGS2PTGS1NR4A2NR4A1NR4A3
SCHEMBL7504432 0.93 PTGS2 (0.66) PTGS2PTGS1NR4A2NR4A1NR4A3
SCHEMBL7502679 0.89 PTGS2 (0.62) PTGS2PTGS1NR4A2NR4A1NR4A3
SCHEMBL7509684 0.89 PTGS2 (0.62) PTGS2PTGS1NR4A2NR4A1NR4A3
SCHEMBL7505741 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7511064 0.88 PTGS2 (0.57) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7498353 0.86 PTGS2 (0.55) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7501042 0.86 PTGS2 (0.55) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7512959 0.85 PTGS2 (0.69) PTGS2PTGS1NR4A2NR4A1NR4A3
SCHEMBL7499682 0.85 PTGS2 (0.69) PTGS2PTGS1NR4A2NR4A1NR4A3

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