SCHEMBL5797237

SCHEMBL5797237

CC(=Cc1ccc(C(=O)O)cc1)CNc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
MCL1 Q07820 1/20 0.63
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
KDM4E B2RXH2 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.49
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
DHODH Q02127 1/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL5795676 0.89 MAPT (0.51) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5798829 0.88 HDAC6 (0.57) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5796792 0.88 MAPT (0.49) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5797556 0.86 MAPT (0.47) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5799686 0.82 MEN1 (0.50) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5799662 0.81 HDAC6 (0.48) MAPTMCL1KMT2AKDM4ETDP1
SCHEMBL5812089 0.78 HDAC6 (0.57) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5799477 0.78 HDAC3 (0.42) MAPTMCL1KMT2AMEN1KDM4E
SCHEMBL5799558 0.78 ALDH1A1 (0.63) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL5795739 0.76 NPC1 (0.43) MAPTKMT2AMEN1KDM4ETDP1

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