SCHEMBL8549338

SCHEMBL8549338

NS(=O)(=O)c1ccc(-c2oc(CO)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
PTGS2 P35354 10/20 0.50
PTGS1 P23219 8/20 0.50
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 4/20 0.46
CA4 P22748 3/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 2/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ENPP3 O14638 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
SCHEMBL6026434 0.88 PTGS2 (0.55) MAOAMAOBRXRARXRBRXRG
SCHEMBL7501616 0.88 PTGS2 (0.55) MAOAMAOBRXRARXRBRXRG
SCHEMBL7508637 0.87 PTGS2 (0.67) MAOAMAOBPTGS2PTGS1CA1
SCHEMBL5732336 0.86 NR4A2 (0.60) MAOAMAOBRXRARXRBRXRG
SCHEMBL5733069 0.86 NR4A2 (0.60) MAOAMAOBRXRARXRBRXRG
SCHEMBL6308845 0.84 RXRA (0.49) MAOAMAOBRXRARXRBRXRG
SCHEMBL6310934 0.84 RXRA (0.49) MAOAMAOBRXRARXRBRXRG
SCHEMBL8547060 0.84 PTGS2 (0.50) MAOAMAOBRXRARXRBRXRG
SCHEMBL8552170 0.84 PTGS2 (0.50) MAOAMAOBRXRARXRBRXRG
SCHEMBL7504153 0.83 RXRA (0.53) MAOAMAOBRXRARXRBRXRG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed