SCHEMBL6915100

SCHEMBL6915100

N#CC(=CC=Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.68
EGFR P00533 7/20 0.68
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPT P10636 5/20 0.54
TDP1 Q9NUW8 5/20 0.54
HPGD P15428 5/20 0.54
ERBB2 P04626 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TP53 P04637 3/20 0.54
CYP1A2 P05177 3/20 0.54
LCK P06239 1/20 0.54
XDH P47989 1/20 0.51
CYP3A4 P08684 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
PMP22 Q01453 3/20 0.51
HIF1A Q16665 3/20 0.51

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
SCHEMBL6915091 1.00 MAOB (0.68) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL13678104 0.87 MAOB (0.63) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL6058762 0.87 EGFR (0.68) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL6058761 0.87 EGFR (0.68) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL9508065 0.85 MCL1 (0.65) MAOBEGFRKDM4EALDH1A1MAPT
SCHEMBL13678405 0.83 MAOB (0.62) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL10938245 0.83 MCL1 (0.62) MAOBEGFRKDM4EALDH1A1MAPT
SCHEMBL4471166 0.81 MAOB (0.67) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL4471168 0.81 MAOB (0.67) MAOBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL17457139 0.81 EGFR (1.00) EGFRKDM4EALDH1A1HSD17B10MAPT

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-6800659-B2 NOVEL STYRYLACRYLONITRILE COMPOUNDS WHICH ARE USEFUL IN TREATING A VARIETY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER ARE DISCLOSED. A METHOD OF MODULATING CELL PROLIFERATION COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-05 US claimed