SCHEMBL13294367

SCHEMBL13294367

COCC(C)(C)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 5/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
XBP1 P17861 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HIF1A Q16665 1/20 0.36
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL12813009 0.95 ALDH1A1 (0.55) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL3623365 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL14484071 0.87 ALDH1A1 (0.52) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL22431609 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL29664901 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL25208359 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL14484118 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL13799345 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL11983346 0.85 ALDH1A1 (0.45) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL124488 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1LMNARAB9AMAPT

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-2010060513-A2 METHOD FOR THE PHOTO STABILISATION OF ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-03 WO disclosed