SCHEMBL5799655

SCHEMBL5799655

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 6/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5799862 0.86 MAPT (0.56) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5799858 0.86 MAPT (0.56) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5810687 0.85 MAPT (0.49) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5797705 0.85 MAPT (0.49) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5824078 0.85 MAPT (0.44) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5797667 0.84 MAPT (0.54) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5797060 0.84 RAB9A (0.57) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL5797343 0.84 MAPT (0.50) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5799593 0.84 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL5795582 0.81 MAPT (0.48) RAB9ANPC1MAPTSMN1; SMN2LMNA

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