SCHEMBL5813340

SCHEMBL5813340

COC(=O)c1ccc(C=C(CO)CN2C(=O)C3CC=CCC3C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 2/20 0.39
AGTR1 P30556 1/20 0.38

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
SCHEMBL5813336 1.00 GAA (0.45) GAAKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL5808726 0.90 GAA (0.44) GAAKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL5808727 0.90 GAA (0.44) GAAKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL5808190 0.84 GAA (0.45) GAAKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL5799115 0.80 POLB (0.59) GAAALDH1A1HSD17B10
SCHEMBL5799117 0.80 POLB (0.59) GAAALDH1A1HSD17B10
SCHEMBL5822676 0.77 FAAH (0.41) GAAKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL5799786 0.74 SMN1; SMN2 (0.45) HPGDALDH1A1TSHR
SCHEMBL13318220 0.71 ALDH1A1 (0.72) GAAL3MBTL1ALDH1A1TSHR
SCHEMBL5807113 0.70 POLB (0.58) GAAALDH1A1HSD17B10

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