SCHEMBL28176121

SCHEMBL28176121

CC=C(C)C(=O)NCOCCC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
CES2 O00748 1/20 0.31
ACHE P22303 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FAAH O00519 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
SCHEMBL28176030 0.78 ALDH1A1 (0.35) EPHX2CES2ACHEALDH1A1HSD17B10
SCHEMBL475299 0.78 THRB (0.42) EPHX2CES2ACHEALDH1A1HSD17B10
SCHEMBL2552861 0.74 MMP1 (0.41) EPHX2ALDH1A1
SCHEMBL2552858 0.74 MMP1 (0.41) EPHX2ALDH1A1
SCHEMBL27654151 0.73 CNR2 (0.33) HCAR2ALDH1A1
SCHEMBL8641987 0.73 EPHX1 (0.41) EPHX2ACHEHSD17B10
SCHEMBL15502243 0.73
SCHEMBL14553254 0.73
SCHEMBL909866 0.73
SCHEMBL11120929 0.73 THRB (0.47) EPHX2ACHEALDH1A1

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-105144435-B Conductive composition, basalis formation conductive composition, collector, electrode for power storage device and electrical storage device of the electrical storage device with basalis 东洋油墨SC控股株式会社 2017-09-12 CN disclosed