SCHEMBL7140529

SCHEMBL7140529

N#CC(=CC=Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
EGFR P00533 7/20 0.48
ERBB2 P04626 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 2/20 0.48
APEX1 P27695 2/20 0.48
MAPK1 P28482 2/20 0.48
PMP22 Q01453 2/20 0.48
RGS12 O14924 1/20 0.48

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
SCHEMBL5160059 1.00 MAOB (0.51) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5159821 0.90 MAOB (0.58) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5159432 0.90 MAOB (0.49) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5159601 0.86 HSPD1 (0.55) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5159630 0.84 MAOB (0.53) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5159642 0.84 MAOB (0.53) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5159395 0.84 CYP1A2 (0.48) EGFRERBB2MAPTKDM4EMEN1
SCHEMBL5688083 0.77 MAOB (0.60) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5685136 0.76 MAOB (0.53) MAOBEGFRERBB2MAPTKDM4E
SCHEMBL5688463 0.76 MAOB (0.53) MAOBEGFRERBB2MAPTKDM4E

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-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP disclosed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 WO disclosed