SCHEMBL7510313

SCHEMBL7510313

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
ENPP3 O14638 1/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 1/20 0.47
PTGS2 P35354 6/20 0.46
PTGS1 P23219 3/20 0.46
PPARD Q03181 2/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RAB9A P51151 2/20 0.43
CDK2 P24941 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7504923 1.00 KDR (0.48) KDRENPP3CA1CA2CA12
SCHEMBL7501119 0.92 CA2 (0.45) KDRENPP3CA1CA2CA12
SCHEMBL7508768 0.92 RXRA (0.47) KDRENPP3CA1CA2CA12
SCHEMBL7498353 0.90 PTGS2 (0.55) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7501042 0.90 PTGS2 (0.55) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7503191 0.90 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7501428 0.90 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7506694 0.90 RXRA (0.53) CA1CA2CA12CA9CA14
SCHEMBL7500787 0.90 RXRA (0.58) CA1CA2CA12CA9CA14
SCHEMBL7503221 0.89 PTGS2 (0.58) KDRCA1CA2CA12CA9

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 9 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
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