SCHEMBL7504416

SCHEMBL7504416

Cc1ccc(C)c(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.49
▸ RXRA P19793 4/20 0.43
▸ RXRB P28702 4/20 0.43
▸ PTGS1 P23219 3/20 0.43
▸ RXRG P48443 2/20 0.43
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL7504876 0.92 PTGS2 (0.49) PTGS2RXRARXRBPTGS1RXRG
SCHEMBL7506461 0.92 PTGS2 (0.49) PTGS2RXRARXRBPTGS1RXRG
SCHEMBL7505895 0.91 CA1 (0.44) PTGS2RXRARXRBPTGS1RXRG
SCHEMBL7508189 0.89 RXRA (0.54) PTGS2RXRARXRBPTGS1RXRG
SCHEMBL7507741 0.88 PTGS2 (0.47) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7506614 0.88 PTGS2 (0.47) PTGS2RXRARXRBPTGS1
SCHEMBL7502679 0.87 PTGS2 (0.62) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7509684 0.87 PTGS2 (0.62) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7505009 0.86 PTGS2 (0.55) PTGS2RXRARXRBPTGS1RXRG
SCHEMBL7501461 0.85 PTGS2 (0.49) PTGS2RXRARXRBPTGS1RXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 — — EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 — — US disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 — — US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 — — WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 — — EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 — — WO disclosed
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