SCHEMBL8548710

SCHEMBL8548710

CS(=O)(=O)c1ccc(-c2coc(Cc3ccccc3)n2)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.44
IKBKB O14920 2/20 0.39
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL9100319 0.89 PTGER1 (0.49) PTGER1PTGS2
SCHEMBL8548972 0.81 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL8548707 0.79 ENPP3 (0.57) PTGS2ENPP3ENPP1
SCHEMBL8546693 0.77 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8552225 0.77 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8551355 0.76 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8547371 0.76 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8552226 0.75 PTGS2 (0.47) PTGS2PTGS1ENPP3ENPP1
SCHEMBL9098556 0.75 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL8549867 0.75 PTGS2 (0.38) PTGS2PTGS1

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