SCHEMBL7511064

SCHEMBL7511064

CS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.57
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 3/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
FAAH O00519 1/20 0.50
KCNH2 Q12809 1/20 0.50
PTGS1 P23219 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NR4A2 P43354 1/20 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
SCHEMBL7502011 0.93 PTGS2 (0.66) PTGS2RXRARXRBRXRGLMNA
SCHEMBL7504432 0.93 PTGS2 (0.66) PTGS2RXRARXRBRXRGLMNA
SCHEMBL7502409 0.91 RXRA (0.53) PTGS2RXRARXRBRXRGALDH1A1
SCHEMBL7505514 0.91 RXRA (0.53) PTGS2RXRARXRBRXRGALDH1A1
SCHEMBL7502679 0.89 PTGS2 (0.62) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7509684 0.89 PTGS2 (0.62) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7505276 0.89 RXRA (0.55) PTGS2RXRARXRBRXRGALDH1A1
SCHEMBL7511630 0.89 RXRA (0.55) PTGS2RXRARXRBRXRGALDH1A1
SCHEMBL7505741 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL9026802 0.88 PTGS2 (0.57) PTGS2RXRARXRBPTGS1NR4A2

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 10 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
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