SCHEMBL7501119

SCHEMBL7501119

COc1cc(OC)cc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 4/20 0.45
CA12 O43570 2/20 0.45
CA14 Q9ULX7 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
PTGS2 P35354 5/20 0.42
PTGS1 P23219 3/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARD Q03181 1/20 0.40
ENPP3 O14638 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL7508768 0.96 RXRA (0.47) CA2CA1CA9CA12CA14
SCHEMBL7506694 0.92 RXRA (0.53) CA2CA1CA9CA12CA14
SCHEMBL7504923 0.92 KDR (0.48) CA2CA1CA9CA12CA14
SCHEMBL7510313 0.92 KDR (0.48) CA2CA1CA9CA12CA14
SCHEMBL7509586 0.91 PTGS2 (0.50) RXRARXRBPTGS2PTGS1MEN1
SCHEMBL7500787 0.90 RXRA (0.58) CA2CA1CA9CA12CA14
SCHEMBL7503479 0.87 PTGS2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL7503476 0.87 PTGS2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL7502148 0.86 PTGS2 (0.50) RXRARXRBPTGS2PTGS1MAPT
SCHEMBL7504928 0.86 CA1 (0.48) CA2CA1CA9CA12CA14

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