SCHEMBL5688463

SCHEMBL5688463

CC(C(=O)NC(C#N)=CC=Cc1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
EGFR P00533 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
GMNN O75496 4/20 0.49
TP53 P04637 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
MAPT P10636 4/20 0.49
ALOX15 P16050 4/20 0.49
ALOX12 P18054 4/20 0.49
NFKB1 P19838 4/20 0.49
MAPK1 P28482 4/20 0.49
CYP2C19 P33261 4/20 0.49
BLM P54132 4/20 0.49
PMP22 Q01453 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
TDP1 Q9NUW8 4/20 0.49

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
SCHEMBL5685136 1.00 MAOB (0.53) MAOBEGFRKDM4EMEN1GMNN
SCHEMBL5157754 0.82 KMT2A (0.52) MEN1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL5159821 0.81 MAOB (0.58) MAOBEGFRKDM4EMEN1GMNN
SCHEMBL5159630 0.80 MAOB (0.53) MAOBEGFRKDM4EMEN1TP53
SCHEMBL5159642 0.80 MAOB (0.53) MAOBEGFRKDM4EMEN1TP53
SCHEMBL5688083 0.78 MAOB (0.60) MAOBEGFRKDM4EMEN1GMNN
SCHEMBL5688467 0.76 MAOB (0.61) MAOBEGFRKDM4EMEN1GMNN
SCHEMBL7140529 0.76 MAOB (0.51) MAOBEGFRKDM4EMEN1TP53
SCHEMBL5160059 0.76 MAOB (0.51) MAOBEGFRKDM4EMEN1TP53
SCHEMBL5159432 0.74 MAOB (0.49) MAOBEGFRKDM4EMEN1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638912-A2 PROCESS FOR THE PREPARATION OF CINNAMALDEHYDE COMPOUNDS Lymphosign Inc. (CA) 2006-03-29 EP claimed
WO-2005000777-A2 PROCESS FOR THE PREPARATION OF CINNAMALDEHYDE COMPOUNDS LYMPHOSIGN INC. (CA) 2005-01-06 WO claimed