SCHEMBL28352995

SCHEMBL28352995

C=CCOCCC(O)COCC=C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA7 P43166 4/20 0.61
CA9 Q16790 4/20 0.42
CA4 P22748 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.33

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
SCHEMBL12210267 0.84 CA1 (0.44) CA1CA2CA7CA9TDP1
SCHEMBL497334 0.84 CA1 (0.74) CA1CA2CA7CA9CA4
SCHEMBL19138450 0.83 CA1 (0.45) CA1CA2CA7CA9TDP1
SCHEMBL419110 0.83 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL10532306 0.83 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL7160070 0.81 CA1 (0.71) CA1CA2CA7CA9CA4
SCHEMBL12909793 0.81 CA1 (0.71) CA1CA2CA7CA9CA4
SCHEMBL9839094 0.81 CA1 (0.59) CA1CA2CA7CA9CA4
SCHEMBL28165538 0.81 CA1 (0.59) CA1CA2CA7CA9CA4
SCHEMBL23604400 0.80 CA1 (0.53) CA1CA2CA7CA9CA4

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-110662740-A Method for producing epoxy compound 日产化学株式会社 2020-01-07 CN disclosed