SCHEMBL5795697

SCHEMBL5795697

O=C(O)c1ccc(C=C(CNc2ccc3ccc(N4CCOCC4)cc3c2)COc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
MAPT P10636 6/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DAPK1 P53355 1/20 0.41
PIM3 Q86V86 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TERT O14746 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL5796327 0.93 P2RX3 (0.54) P2RX3PPARGPPARDPPARAMAPT
SCHEMBL5796329 0.93 P2RX3 (0.54) P2RX3PPARGPPARDPPARAMAPT
SCHEMBL5819819 0.93 P2RX3 (0.43) P2RX3PPARGPPARDPPARAMAPT
SCHEMBL5797822 0.82 MEN1 (0.46) P2RX3MAPTKDM4EALDH1A1DAPK1
SCHEMBL5796791 0.78 P2RX3 (0.47) P2RX3MAPTKDM4EALDH1A1DAPK1
SCHEMBL5813652 0.78 MEN1 (0.50) P2RX3MAPTKDM4EALDH1A1LMNA
SCHEMBL5799773 0.75 P2RX3 (0.43) P2RX3MAPTKDM4EALDH1A1LMNA
SCHEMBL5799769 0.75 P2RX3 (0.43) P2RX3MAPTKDM4EALDH1A1LMNA
SCHEMBL5799787 0.75 HDAC3 (0.56) P2RX3MAPTKDM4EALDH1A1LMNA
SCHEMBL5799788 0.75 HDAC3 (0.56) P2RX3MAPTKDM4EALDH1A1LMNA

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