SCHEMBL28046115

SCHEMBL28046115

CC=C(CC(C)C)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIK1 P39086 5/20 0.40
GRIK2 Q13002 3/20 0.40
CA2 P00918 1/20 0.39
KISS1R Q969F8 2/20 0.37
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32
GRIA1 P42261 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2397901 0.79 GRIK1 (0.52) ALDH1A1TDP1GRIK1CA2KISS1R
SCHEMBL28095839 0.79 GRIK1 (0.46) ALDH1A1TDP1GRIK1GRIK2CA2
SCHEMBL12925448 0.79 GRIK1 (0.45) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL2397898 0.79 GRIK1 (0.52) ALDH1A1TDP1GRIK1CA2KISS1R
SCHEMBL22500308 0.78 ALDH1A1 (0.36) ALDH1A1TDP1GRIK1CA2KISS1R
SCHEMBL3620136 0.77 GRIK1 (0.58) ALDH1A1TDP1GRIK1GRIK2CA2
SCHEMBL10450348 0.77 GRIK1 (0.58) ALDH1A1TDP1GRIK1GRIK2CA2
SCHEMBL8377796 0.77 GRIK1 (0.58) ALDH1A1TDP1GRIK1GRIK2CA2
SCHEMBL1274433 0.76 ALDH1A1 (0.34) ALDH1A1TDP1GRIK1CA2KISS1R
SCHEMBL8171183 0.71 KISS1R (0.39) ALDH1A1TDP1GRIK1GRIK2CA2

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-105209562-A Antifouling coating film having low frictional resistance with water or seawater ESTEN CHEMICAL RES CORP 2015-12-30 CN disclosed