SCHEMBL9213121

SCHEMBL9213121

CC(C)(C)OC(=O)NC1C(Cl)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.56
ABCC9 O60706 4/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49

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
SCHEMBL9213115 1.00 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1
SCHEMBL9213127 1.00 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1
SCHEMBL9216476 0.88 ABCB1 (0.60) ABCB1ABCC9
SCHEMBL9211358 0.88 ABCB1 (0.60) ABCB1ABCC9
SCHEMBL9211353 0.88 ABCB1 (0.60) ABCB1ABCC9
SCHEMBL9212937 0.88 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1
SCHEMBL9212933 0.88 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1
SCHEMBL9212924 0.88 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1
SCHEMBL9215264 0.87 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1
SCHEMBL9215249 0.87 ABCB1 (0.56) ABCB1ABCC9SIRT2SIRT1

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 3 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
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed