SCHEMBL7510672

SCHEMBL7510672

Cc1cccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.57
RXRA P19793 5/20 0.56
RXRB P28702 5/20 0.56
RXRG P48443 3/20 0.56
NR4A2 P43354 2/20 0.56
MAPK14 Q16539 7/20 0.50
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 2/20 0.45

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
SCHEMBL7505417 0.96 PTGS2 (0.57) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7510871 0.91 PTGS2 (0.56) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7511416 0.90 RXRA (0.55) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7502011 0.90 PTGS2 (0.66) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7504432 0.90 PTGS2 (0.66) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7506842 0.89 PTGS2 (0.56) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7502679 0.89 PTGS2 (0.62) PTGS2RXRARXRBNR4A2PTGS1
SCHEMBL7509684 0.89 PTGS2 (0.62) PTGS2RXRARXRBNR4A2PTGS1
SCHEMBL7511630 0.88 RXRA (0.55) PTGS2RXRARXRBRXRGNR4A2
SCHEMBL7506306 0.88 PTGS2 (0.53) PTGS2RXRARXRBRXRGNR4A2

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 7 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP 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