SCHEMBL11552129

SCHEMBL11552129

CCOc1cc(OCC)cc(OCC#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
GAA P10253 3/20 0.42
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH2 P05091 1/20 0.38
HPGD P15428 1/20 0.38
SLC2A1 P11166 1/20 0.38
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36

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
SCHEMBL11553427 0.82 ALDH1A1 (0.50) GAAPOLBHSD17B10L3MBTL1ALDH1A1
SCHEMBL1683212 0.80 NQO1 (0.65) NQO1HSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8195554 0.77 POLB (0.42) GAAPOLBALOX15HSD17B10L3MBTL1
SCHEMBL13681552 0.76 HPGD (0.44) GAAHTTPOLBALOX15HSD17B10
SCHEMBL509575 0.74 FFAR1 (0.48) GAAHTTHSD17B10L3MBTL1ALDH1A1
SCHEMBL2781336 0.73 SOD1 (0.39) GAAPOLBHSD17B10L3MBTL1ALDH1A1
SCHEMBL27925496 0.73 EGFR (0.39) GAAPOLBHSD17B10L3MBTL1ALDH1A1
SCHEMBL3915652 0.73 ALDH1A1 (0.42) GAAHTTPOLBALOX15HSD17B10
SCHEMBL15334777 0.72 POLB (0.39) GAAHTTPOLBALOX15HSD17B10
SCHEMBL12311020 0.72 POLB (0.46) GAAHTTPOLBHSD17B10L3MBTL1

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-4146647-A PHENYLAMIDOXIMES, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1979-03-27 US disclosed