SCHEMBL21542079

SCHEMBL21542079

[CH2]CC(C)(CC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1584536 0.85 GAA (0.48) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL21542084 0.83 GAA (0.43) GAAALDH1A1LMNAHSD17B10
SCHEMBL12937360 0.81 GAA (0.50) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL21542075 0.79 GAA (0.41) GAAALDH1A1HSD17B10CYP1A2
Benzene SCHEMBL11799767 0.79 CYP2C19 (0.43) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL28508405 0.77 GAA (0.41) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL10413100 0.76 HMGCR (0.41) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL17166970 0.76 GAA (0.40) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL27861695 0.76 GAA (0.40) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL130938 0.73

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
US-20190346592-A1 OPTICAL FILM AND FRONT PANEL OF IMAGE DISPLAY APPARATUS, IMAGE DISPLAY APPARATUS, MIRROR WITH IMAGE DISPLAY FUNCTION, RESISTIVE FILM-TYPE TOUCH PANEL, AND CAPACITANCE-TYPE TOUCH PANEL HAVING OPTICAL FILM FUJIFILM CORPORATION (JP) 2019-11-14 US disclosed