SCHEMBL19447665

SCHEMBL19447665

CCO/C=C(/C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.50
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
TRPA1 O75762 1/20 0.41
MAPT P10636 3/20 0.41
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL322511 1.00 GLO1 (0.50) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL222772 1.00 GLO1 (0.50) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL31278293 0.89 GLO1 (0.45) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL937816 0.86 GLO1 (0.42) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL20271509 0.86 GLO1 (0.42) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11646015 0.85 HCAR2 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL317281 0.84 ALDH1A1 (0.48) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL3034863 0.84 ALDH1A1 (0.45) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11455383 0.84 GLO1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11006159 0.84 GLO1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1

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
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed