SCHEMBL7499991

SCHEMBL7499991

NS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.55
RXRB P28702 5/20 0.55
RXRG P48443 5/20 0.55
PTGS1 P23219 6/20 0.53
PTGS2 P35354 6/20 0.53
EPHX2 P34913 1/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7503126 0.96 RXRA (0.55) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7502868 0.91 RXRA (0.45) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7498594 0.91 RXRA (0.45) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7503198 0.89 RXRA (0.55) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7506071 0.88 RXRA (0.55) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7507091 0.88 PTGS2 (0.56) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7508972 0.88 PTGS2 (0.46) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7506184 0.88 RXRA (0.53) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7504153 0.88 RXRA (0.53) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL7505978 0.88 RXRA (0.53) RXRARXRBRXRGPTGS1PTGS2

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 claimed
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
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
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed