SCHEMBL9565099

SCHEMBL9565099

COc1ccc(C(=O)NC2c3cc(C#N)ccc3C(=O)C(C)(C)C2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.53
GAA P10253 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
VNN1 O95497 2/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL9565098 1.00 ABCC9 (0.53) ABCC9GAAEGLN1MAPK14ALDH1A1
SCHEMBL9565095 1.00 ABCC9 (0.53) ABCC9GAAEGLN1MAPK14ALDH1A1
SCHEMBL9565083 0.87 ABCC9 (0.54) ABCC9KMT2A
SCHEMBL9565077 0.87 ABCC9 (0.54) ABCC9KMT2A
SCHEMBL9565081 0.87 ABCC9 (0.54) ABCC9KMT2A
SCHEMBL9565137 0.85 ABCC9 (0.53) ABCC9GAAEGLN1ALK
SCHEMBL9565141 0.85 ABCC9 (0.53) ABCC9GAAEGLN1ALK
SCHEMBL9565145 0.85 ABCC9 (0.53) ABCC9GAAEGLN1ALK
SCHEMBL9565138 0.82 ABCC9 (0.46) ABCC9
SCHEMBL9565140 0.82 ABCC9 (0.46) ABCC9

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-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP claimed
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed