SCHEMBL28664848

SCHEMBL28664848

CCOC(=O)C=Cc1ccc(C#N)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
ESR1 P03372 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP3A4 P08684 2/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAOB P27338 1/20 0.41
EPAS1 Q99814 1/20 0.41
FDPS P14324 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 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
SCHEMBL13262820 0.88 ESR1 (0.54) TTRDPP4ESR1CA12CA1
SCHEMBL28642585 0.86 TTR (0.51) TTRDPP4ESR1CA12CA1
SCHEMBL7608324 0.86 CA12 (0.55) TTRDPP4ESR1CA12CA1
SCHEMBL14111461 0.86 CA12 (0.55) TTRDPP4ESR1CA12CA1
SCHEMBL11428624 0.85 MAPT (0.45) TTRDPP4ESR1CA12CA1
SCHEMBL11428626 0.85 MAPT (0.45) TTRDPP4ESR1CA12CA1
SCHEMBL11353373 0.85 TTR (0.44) TTRDPP4ESR1CA12CA1
SCHEMBL28662305 0.85 CYP3A4 (0.45) TTRDPP4ESR1CA12CA1
SCHEMBL11353377 0.85 TTR (0.44) TTRDPP4ESR1CA12CA1
SCHEMBL16218971 0.83 TTR (0.46) TTRDPP4ESR1CA12CA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed