SCHEMBL5799640

SCHEMBL5799640

O=C(O)c1ccc(C=C(CNc2ccc3ccccc3c2)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.43
CMA1 P23946 3/20 0.41
MCL1 Q07820 1/20 0.40
CTSG P08311 1/20 0.39
ACP3 P15309 1/20 0.39
RCE1 Q9Y256 1/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
DHODH Q02127 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 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
SCHEMBL5797642 0.90 HDAC6 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5796765 0.89 MAPT (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5799659 0.88 MTNR1A (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5799923 0.88 GCGR (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5799741 0.84 ALDH1A1 (0.40) MAPTKMT2AKDM4EALDH1A1MCL1
SCHEMBL5799682 0.82 NPC1 (0.39) MAPTMEN1KMT2AALDH1A1MCL1
SCHEMBL5797676 0.82 HDAC6 (0.42) MAPTMCL1HTT
SCHEMBL5823657 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL5799447 0.81 HDAC6 (0.43) ALDH1A1ACP3
SCHEMBL5796946 0.81 MTNR1A (0.43) MAPTMEN1KMT2AALDH1A1HTT

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