SCHEMBL9212230

SCHEMBL9212230

CC(C)(C)C(=O)N[C@H]1[C@H](O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.55
KDM4E B2RXH2 1/20 0.55
ABCB1 P08183 10/20 0.53

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
SCHEMBL9212222 1.00 ABCC9 (0.55) ABCC9KDM4EABCB1
SCHEMBL9211412 0.87 ABCC9 (0.61) ABCC9KDM4EABCB1
SCHEMBL9211433 0.87 ABCC9 (0.61) ABCC9KDM4EABCB1
SCHEMBL9211421 0.87 ABCC9 (0.61) ABCC9KDM4EABCB1
SCHEMBL9216472 0.87 ABCC9 (0.53) ABCC9KDM4EABCB1
SCHEMBL9216475 0.87 ABCC9 (0.53) ABCC9KDM4EABCB1
SCHEMBL9218906 0.86 ABCC9 (0.53) ABCC9KDM4EABCB1
SCHEMBL9211358 0.86 ABCB1 (0.60) ABCC9KDM4EABCB1
SCHEMBL9211353 0.86 ABCB1 (0.60) ABCC9KDM4EABCB1
SCHEMBL9216476 0.86 ABCB1 (0.60) ABCC9KDM4EABCB1

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-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP claimed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed