SCHEMBL7507571

SCHEMBL7507571

COc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.45
▸ PTGS1 P23219 2/20 0.44
▸ PPARD Q03181 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ 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
SCHEMBL7508671 0.93 PTGS2 (0.45) PTGS2PTGS1PPARDTEKRXRA
SCHEMBL7505602 0.92 CA2 (0.42) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7510121 0.90 PTGS2 (0.46) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7504843 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7503574 0.88 PTGS2 (0.46) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL7506251 0.88 PTGS2 (0.46) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7507741 0.87 PTGS2 (0.47) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL7501042 0.86 PTGS2 (0.55) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7498353 0.86 PTGS2 (0.55) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7508070 0.85 PTGS2 (0.43) PTGS2PTGS1RXRARXRB

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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