SCHEMBL28113218

SCHEMBL28113218

CCCCC=C(C)C(=O)ONC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
GRIK1 P39086 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 3/20 0.32
CCR2 P41597 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
FAAH O00519 2/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL27637958 0.89 CYP2D6 (0.33) GRIK1CYP2D6CYP2C19
SCHEMBL2771421 0.82 EP300 (0.39) EP300GRIK1ALDH1A1TSHRCCR2
SCHEMBL689957 0.82 EP300 (0.39) EP300GRIK1ALDH1A1TSHRCCR2
SCHEMBL28075996 0.81 EP300 (0.33) EP300GRIK1CCR2EPHX1CNR2
SCHEMBL8070818 0.80
SCHEMBL516445 0.80
SCHEMBL7754867 0.80 EP300 (0.41) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL198449 0.79 EP300 (0.39) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL7111711 0.79 EP300 (0.39) EP300GRIK1ALDH1A1TSHRF7
SCHEMBL4964251 0.79 EP300 (0.39) EP300GRIK1ALDH1A1TSHRF7

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-106167662-A Thermohardening type antistatic coating agent and curing overlay film, plastic foil 荒川化学工业株式会社 2016-11-30 CN disclosed