SCHEMBL5797556

SCHEMBL5797556

CC(=Cc1ccc(C(=O)O)cc1)CNc1cccc2c(O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MCL1 Q07820 1/20 0.47
CDC25B P30305 6/20 0.45
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL5799702 0.88 ESR1 (0.43) MAPTCDC25BALDH1A1NPSR1NPC1
SCHEMBL5797413 0.88 HDAC6 (0.51) MAPTMCL1CDC25BTDP1ALDH1A1
SCHEMBL5797237 0.86 MAPT (0.63) MAPTMCL1TDP1ALDH1A1POLB
SCHEMBL5799686 0.81 MEN1 (0.50) MAPTMCL1ALDH1A1POLBL3MBTL1
SCHEMBL5795676 0.81 MAPT (0.51) MAPTMCL1TDP1ALDH1A1POLB
SCHEMBL5799662 0.75 HDAC6 (0.48) MAPTMCL1TDP1POLBL3MBTL1
SCHEMBL5798829 0.75 HDAC6 (0.57) MAPTMCL1TDP1ALDH1A1NPSR1
SCHEMBL5795739 0.75 NPC1 (0.43) MAPTTDP1ALDH1A1POLBGLA
SCHEMBL5796792 0.75 MAPT (0.49) MAPTMCL1TDP1ALDH1A1NPSR1
SCHEMBL5807460 0.74 GAA (0.45) MAPTTDP1ALDH1A1POLBL3MBTL1

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