SCHEMBL7500581

SCHEMBL7500581

Cc1cc(C)cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.53
RXRB P28702 5/20 0.53
RXRG P48443 3/20 0.53
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 5/20 0.48
CA12 O43570 3/20 0.48
CA14 Q9ULX7 2/20 0.48
PTGS2 P35354 8/20 0.47
PTGS1 P23219 5/20 0.47
MT-CO2 P00403 1/20 0.43
LMNA P02545 1/20 0.43
CA3 P07451 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL7504928 0.96 CA1 (0.48) RXRARXRBRXRGCA1CA2
SCHEMBL7503695 0.91 RXRA (0.55) RXRARXRBRXRGCA1CA2
SCHEMBL7503904 0.91 RXRA (0.53) RXRARXRBCA1CA2CA9
SCHEMBL7500801 0.91 RXRA (0.53) RXRARXRBCA1CA2CA9
SCHEMBL7506842 0.90 PTGS2 (0.56) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL7511416 0.89 RXRA (0.55) RXRARXRBRXRGCA1CA2
SCHEMBL7501428 0.88 CA1 (0.55) RXRARXRBRXRGCA1CA2
SCHEMBL7503191 0.88 CA1 (0.55) RXRARXRBRXRGCA1CA2
SCHEMBL7504168 0.88 CA1 (0.47) RXRARXRBRXRGCA1CA2
SCHEMBL7506561 0.87 RXRA (0.53) RXRARXRBRXRGCA1CA2

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
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
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