SCHEMBL9211353

SCHEMBL9211353

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

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 17/20 0.60
ABCC9 O60706 2/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL9211358 1.00 ABCB1 (0.60) ABCB1ABCC9KDM4E
SCHEMBL9216476 1.00 ABCB1 (0.60) ABCB1ABCC9KDM4E
SCHEMBL9215264 0.90 ABCB1 (0.56) ABCB1ABCC9KDM4E
SCHEMBL9215249 0.90 ABCB1 (0.56) ABCB1ABCC9KDM4E
SCHEMBL9215254 0.90 ABCB1 (0.56) ABCB1ABCC9KDM4E
SCHEMBL9212933 0.88 ABCB1 (0.56) ABCB1ABCC9KDM4E
SCHEMBL9212937 0.88 ABCB1 (0.56) ABCB1ABCC9KDM4E
SCHEMBL9213115 0.88 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9213121 0.88 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9212924 0.88 ABCB1 (0.56) ABCB1ABCC9KDM4E

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 6 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-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
JP-2262576-A None JP disclosed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed
JP-H02262576-A NEW COMPOUND, ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT BEECHAM GROUP PLC 1990-10-25 JP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed