SCHEMBL8548707

SCHEMBL8548707

CS(=O)(=O)c1ccc(COc2ccc(-c3coc(Cc4ccccc4)n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.57
ENPP1 P22413 1/20 0.57
GHSR Q92847 1/20 0.52
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TP53 P04637 3/20 0.43
THRB P10828 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AR P10275 2/20 0.42
HPGD P15428 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
SCHEMBL9100314 0.84 ENPP3 (0.50) ENPP3ENPP1GHSRTP53THRB
SCHEMBL9100319 0.83 PTGER1 (0.49) GHSRPTGS2
SCHEMBL8548710 0.79 PTGER1 (0.44) ENPP3ENPP1PTGS2
SCHEMBL8551355 0.78 PTGS2 (0.50) HPGDS1PR1S1PR3PTGS2KMT2A
SCHEMBL8551014 0.78 PTGS2 (0.41) TP53THRBPOLBPTGS2LMNA
SCHEMBL13666252 0.78 GHSR (0.60) GHSRCA12CA1CA2CA4
SCHEMBL8551030 0.77 TP53 (0.43) TP53THRBPTGS2LMNA
SCHEMBL8552226 0.77 PTGS2 (0.47) ENPP3ENPP1TP53THRBPOLB
SCHEMBL11266317 0.77 CA12 (0.70) GHSRCA12CA1CA2CA4
SCHEMBL8547371 0.76 PTGS2 (0.47) TP53THRBPTGS2LMNA

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 disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed