SCHEMBL5797667

SCHEMBL5797667

COC(=O)c1ccc(C=C(COc2ccc(NC(C)=O)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 4/20 0.52
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.48
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL5820977 0.91 ALDH1A1 (0.53) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL5820244 0.86 MAPT (0.49) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL5799050 0.85 MAPT (0.55) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL5799655 0.84 RAB9A (0.51) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL5799858 0.83 MAPT (0.56) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL5799862 0.83 MAPT (0.56) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL5797705 0.82 MAPT (0.49) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL5810687 0.82 MAPT (0.49) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL5797060 0.81 RAB9A (0.57) MAPTRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL5799593 0.81 NPC1 (0.47) MAPTALDH1A1HTTRAB9ASMN1; SMN2

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed