SCHEMBL7501945

SCHEMBL7501945

COc1cccc(Cl)c1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
CA1 P00915 5/20 0.47
PTGS2 P35354 10/20 0.46
PTGS1 P23219 7/20 0.46
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RXRA P19793 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37

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
SCHEMBL7506477 0.93 CA2 (0.52) CA2CA1PTGS2PTGS1CA9
SCHEMBL7501400 0.93 CA2 (0.47) CA2CA1PTGS2PTGS1CA9
SCHEMBL7508771 0.91 PTGS2 (0.45) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL7502817 0.90 CA1 (0.48) CA2CA1PTGS2PTGS1CA9
SCHEMBL7513947 0.89 CA2 (0.47) CA2CA1PTGS2PTGS1CA9
SCHEMBL7506168 0.88 RXRA (0.47) CA2CA1PTGS2PTGS1CA9
SCHEMBL7506645 0.87 CA2 (0.52) CA2CA1PTGS2PTGS1CA9
SCHEMBL7508972 0.86 PTGS2 (0.46) CA2CA1PTGS2PTGS1CA9
SCHEMBL7507091 0.86 PTGS2 (0.56) CA2CA1PTGS2PTGS1CA9
SCHEMBL7503725 0.85 CA2 (0.52) CA2CA1PTGS2PTGS1CA9

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 4 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