SCHEMBL9213153

SCHEMBL9213153

CC(C)(C)OC(=O)NC1Cc2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.52
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
DRD2 P14416 1/20 0.45
ABCC9 O60706 3/20 0.44

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
SCHEMBL9219547 0.84 ABCB1 (0.45) ABCB1ABCC9
SCHEMBL9211358 0.78 ABCB1 (0.60) ABCB1ABCC9
SCHEMBL9211353 0.78 ABCB1 (0.60) ABCB1ABCC9
SCHEMBL9216476 0.78 ABCB1 (0.60) ABCB1ABCC9
SCHEMBL8616456 0.78 KDM4E (0.48) ABCB1ABCC9
SCHEMBL9213121 0.78 ABCB1 (0.56) ABCB1SIRT2SIRT1ABCC9
SCHEMBL9213115 0.78 ABCB1 (0.56) ABCB1SIRT2SIRT1ABCC9
SCHEMBL9212924 0.78 ABCB1 (0.56) ABCB1SIRT2SIRT1ABCC9
SCHEMBL9212933 0.78 ABCB1 (0.56) ABCB1SIRT2SIRT1ABCC9
SCHEMBL9212937 0.78 ABCB1 (0.56) ABCB1SIRT2SIRT1ABCC9

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 4 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
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed