SCHEMBL9213170

SCHEMBL9213170

CC(C)(C)OC(=O)NC1=Cc2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
PTGS2 P35354 1/20 0.41
EGLN2 Q96KS0 2/20 0.40
ADRA2A P08913 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
P2RY6 Q15077 1/20 0.39

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
SCHEMBL9216469 0.77 ABCB1 (0.44) ABCB1SIRT2SIRT1EGLN2
SCHEMBL7269294 0.70 CA12 (0.39) ABCB1PTGS2P2RY6
SCHEMBL6615734 0.70 EGLN2 (0.44) ABCB1SIRT2SIRT1EGLN2
SCHEMBL9213153 0.69 ABCB1 (0.52) ABCB1SIRT2SIRT1
SCHEMBL9147949 0.68 PTGS2 (0.42) ABCB1PTGS2ADRA2ADRD5P2RY6
SCHEMBL959690 0.68 EGLN2 (0.55) EGLN2
SCHEMBL14738332 0.68 EGLN2 (0.45) EGLN2
SCHEMBL29945049 0.68 EGLN2 (0.45) EGLN2
SCHEMBL15057350 0.68 EGLN2 (0.50) EGLN2
SCHEMBL30381517 0.67 AAK1 (0.41) ABCB1SIRT2SIRT1EGLN2

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