SCHEMBL9565083

SCHEMBL9565083

CC1(C)C(=O)c2ccc(C#N)cc2C(NC(=O)c2ccccc2)C1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.54
EPHX2 P34913 1/20 0.42
KMT2A Q03164 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
KCNA5 P22460 1/20 0.39
ABCB1 P08183 5/20 0.39
CCKBR P32239 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
SCHEMBL9565081 1.00 ABCC9 (0.54) ABCC9EPHX2KMT2AF2PLG
SCHEMBL9565077 1.00 ABCC9 (0.54) ABCC9EPHX2KMT2AF2PLG
SCHEMBL9565141 0.89 ABCC9 (0.53) ABCC9ABCB1
SCHEMBL9565137 0.89 ABCC9 (0.53) ABCC9ABCB1
SCHEMBL9565145 0.89 ABCC9 (0.53) ABCC9ABCB1
SCHEMBL9565054 0.88 ABCC9 (0.49) ABCC9KMT2A
SCHEMBL9565046 0.88 ABCC9 (0.49) ABCC9KMT2A
SCHEMBL9565050 0.88 ABCC9 (0.49) ABCC9KMT2A
SCHEMBL9565099 0.87 ABCC9 (0.53) ABCC9KMT2A
SCHEMBL9565095 0.87 ABCC9 (0.53) ABCC9KMT2A

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 1 patent. 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 disclosed