SCHEMBL5821186

SCHEMBL5821186

COC(=O)c1ccc(C=C(CN2CCCC2=O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 9/20 0.41
HPGD P15428 4/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5821639 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDHDAC1HDAC6
SCHEMBL5795629 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDHTTMAPT
SCHEMBL5799786 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDHTTMAPT
SCHEMBL5821122 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDHTTL3MBTL1
SCHEMBL5795985 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDHTTL3MBTL1
SCHEMBL1306293 0.76 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL1306294 0.76 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
Benzoic Acid SCHEMBL5808846 0.72 TSHR (0.43) SMN1; SMN2ALDH1A1HPGDHDAC1HDAC6
SCHEMBL22042582 0.71 RAB9A (0.57) SMN1; SMN2ALDH1A1HPGDHDAC1HDAC6
SCHEMBL5822229 0.70 MAPT (0.51) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A

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