SCHEMBL7500787

SCHEMBL7500787

COc1cccc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
CA9 Q16790 7/20 0.52
CA2 P00918 7/20 0.52
CA1 P00915 6/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
LDHA P00338 2/20 0.46
CDK2 P24941 2/20 0.44
CDK1 P06493 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 3/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 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
SCHEMBL7506694 0.96 RXRA (0.53) RXRARXRBCA9CA2CA1
SCHEMBL7508768 0.92 RXRA (0.47) RXRARXRBCA9CA2CA1
SCHEMBL7501053 0.91 RXRA (0.59) RXRARXRBTP53MAPTKDM4E
SCHEMBL7501119 0.90 CA2 (0.45) RXRARXRBCA9CA2CA1
SCHEMBL7510313 0.90 KDR (0.48) RXRARXRBCA9CA2CA1
SCHEMBL7504923 0.90 KDR (0.48) RXRARXRBCA9CA2CA1
SCHEMBL7504268 0.87 RXRA (0.53) RXRARXRBTP53MAPTKDM4E
SCHEMBL7507652 0.87 PTGS2 (0.45) RXRARXRBCA9CA2CA1
SCHEMBL7503695 0.87 RXRA (0.55) RXRARXRBCA9CA2CA1
SCHEMBL7505496 0.86 PTGS2 (0.54) RXRARXRBCA9CA2CA1

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