SCHEMBL9565085

SCHEMBL9565085

CC(=O)Oc1ccc(O[C@@H]2c3cc(C#N)ccc3C(=O)C(C)(C)[C@H]2OC(C)=O)nn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.35
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL9565086 1.00 ABCC9 (0.35) ABCC9KDM4EARCYP3A4ALOX15
SCHEMBL9565108 0.78 ABCC9 (0.34) ABCC9KDM4ECYP3A4
SCHEMBL9565070 0.78 ABCC9 (0.34) ABCC9KDM4ECYP3A4
SCHEMBL9565067 0.78 ABCC9 (0.34) ABCC9KDM4ECYP3A4
SCHEMBL7331226 0.74 ABCC9 (0.46) ABCC9KDM4ECYP3A4ALOX15
SCHEMBL9589428 0.70 ABCC9 (0.39) ABCC9KDM4ECYP3A4ALOX15
SCHEMBL9701739 0.70 ABCC9 (0.39) ABCC9KDM4ECYP3A4ALOX15
SCHEMBL9565076 0.69 ABCC9 (0.38) ABCC9
SCHEMBL9565074 0.69 ABCC9 (0.38) ABCC9
SCHEMBL9565078 0.69 ABCC9 (0.38) 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 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