Sugi Predict

Sugi Predict / Compounds / SCHEMBL4732092

SCHEMBL4732092

SCHEMBL4732092

NCC(=CC1CCCCC1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.49
▸ GRIK2 Q13002 1/20 0.46
▸ ALOX5 P09917 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 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
SCHEMBL4732941 0.84 GRIK1 (0.62) GRIK1GRIK2ALDH1A1CYP2D6
SCHEMBL16671372 0.78 GRIK1 (0.44) GRIK1GRIK2ALOX5ALDH1A1
SCHEMBL16671132 0.75 GRIK1 (0.42) GRIK1GRIK2ALOX5ALDH1A1CYP2D6
SCHEMBL17077032 0.74 GRIK1 (0.42) GRIK1GRIK2ALOX5EPHX1ALDH1A1
SCHEMBL17077033 0.74 GRIK1 (0.42) GRIK1GRIK2ALOX5EPHX1ALDH1A1
SCHEMBL6433114 0.72 GRIK1 (0.44) GRIK1GRIK2ALOX5EPHX1ALDH1A1
SCHEMBL585162 0.71 GRIK1 (0.40) GRIK1GRIK2ALOX5EPHX1CES2
SCHEMBL7671245 0.71 GRIK1 (0.40) GRIK1GRIK2ALOX5EPHX1CES2
SCHEMBL553095 0.71 GRIK1 (0.40) GRIK1GRIK2ALOX5EPHX1CES2
SCHEMBL6666614 0.71 CES2 (0.42) GRIK1GRIK2EPHX1ALDH1A1CYP2D6

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
WO-2008053051-A2 PANTHENOL ESTERS OF UNSATURATED CARBOXYLIC ACIDS HAERING DIETMAR (DE) 2008-05-08 — — WO disclosed