SCHEMBL5814003

SCHEMBL5814003

COc1ccc(NCC(=Cc2ccc(C(=O)O)cc2)COc2nc3ccccc3s2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 8/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HTT P42858 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL5813996 1.00 KDM4E (0.46) KDM4EALDH1A1PKMMAPTMEN1
SCHEMBL5807897 0.93 GLO1 (0.48) KDM4EALDH1A1PKMMAPTMEN1
SCHEMBL5807900 0.93 GLO1 (0.48) KDM4EALDH1A1PKMMAPTMEN1
SCHEMBL5797406 0.92 KDM4E (0.45) KDM4EALDH1A1PKMMAPTMEN1
SCHEMBL5797405 0.92 KDM4E (0.45) KDM4EALDH1A1PKMMAPTMEN1
SCHEMBL5795687 0.84 CYP1A2 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5796791 0.80 P2RX3 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5798959 0.79 GLO1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5819439 0.79 GLO1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5797809 0.78 ALDH1A1 (0.43) KDM4EALDH1A1MAPTMEN1KMT2A

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