SCHEMBL5799050

SCHEMBL5799050

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 2/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 3/20 0.53
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 4/20 0.48
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5797667 0.85 MAPT (0.54) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL5797343 0.84 MAPT (0.50) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL5796789 0.84 MAPT (0.58) MAPTALDH1A1HSD17B10RAB9AKMT2A
SCHEMBL5808893 0.82 MAPT (0.48) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL5431174 0.81 ALDH1A1 (0.65) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL5820244 0.80 MAPT (0.49) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL5795596 0.80 NPC1 (0.48) MAPTALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL5799076 0.80 RAB9A (0.57) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5796821 0.78 FAAH (0.44) MAPTALDH1A1HTTHSD17B10RAB9A
SCHEMBL28615347 0.76 KMT2A (0.67) MAPTALDH1A1HTTHSD17B10RAB9A

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