SCHEMBL7500817

SCHEMBL7500817

CS(=O)(=O)c1ccc(-c2nc(CCc3ccccc3)oc2-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.64
NR4A2 P43354 10/20 0.56
RXRA P19793 7/20 0.53
RXRB P28702 7/20 0.53
RXRG P48443 4/20 0.53
NR4A1 P22736 3/20 0.53
NR4A3 Q92570 3/20 0.53
PTGS1 P23219 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ABCC4 O15439 1/20 0.53
C5 P01031 1/20 0.53
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TBXA2R P21731 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL7507458 1.00 PTGS2 (0.64) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7497732 0.93 PTGS2 (0.61) PTGS2NR4A2RXRARXRBPTGS1
SCHEMBL7505024 0.93 PTGS2 (0.62) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7502816 0.93 PTGS2 (0.62) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7502011 0.89 PTGS2 (0.66) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7504432 0.89 PTGS2 (0.66) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7498551 0.89 PTGS2 (0.66) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7503971 0.89 PTGS2 (0.66) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7498736 0.88 CA1 (0.60) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL9024857 0.88 PTGS2 (0.64) PTGS2NR4A2RXRARXRBRXRG

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