SCHEMBL5798935

SCHEMBL5798935

C/C=C\c1cccc(C(=O)OC)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 4/20 0.39
CFTR P13569 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GLA P06280 1/20 0.37
SLC6A3 Q01959 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL25574251 0.85 ALDH1A1 (0.45) BACE1ALDH1A1LMNATSHRKDM4E
SCHEMBL29041518 0.82 LMNA (0.52) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL28658058 0.79 BACE1 (0.56) BACE1ALDH1A1LMNATSHRKDM4E
SCHEMBL12678685 0.79 BACE1 (0.56) BACE1ALDH1A1LMNATSHRKDM4E
SCHEMBL5798938 0.77 ALDH1A1 (0.47) BACE1ALDH1A1LMNATSHRKDM4E
SCHEMBL30041782 0.76 LMNA (0.46) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL5839700 0.76 ALDH1A1 (0.53) ALDH1A1LMNATSHRKDM4EL3MBTL1
SCHEMBL436238 0.76 LMNA (0.46) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL3540201 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRKDM4EL3MBTL1
SCHEMBL17424944 0.76 LMNA (0.59) ALDH1A1LMNATSHRKDM4EHSD17B10

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 claimed