SCHEMBL5797822

SCHEMBL5797822

COc1ccc2ccc(NCC(=Cc3ccc(C(=O)O)cc3)COc3cccc4ccccc34)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
DAPK1 P53355 1/20 0.46
PIM3 Q86V86 1/20 0.46
P2RX3 P56373 2/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAPGEF3 O95398 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
GCGR P47871 1/20 0.40
CASP3 P42574 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 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
SCHEMBL5799773 0.93 P2RX3 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5799769 0.93 P2RX3 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5796297 0.92 P2RX3 (0.52) MEN1KMT2AMAPTALDH1A1P2RX3
SCHEMBL5796791 0.88 P2RX3 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5813652 0.84 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5809911 0.83 HPGD (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5809908 0.83 HPGD (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5797682 0.82 GCGR (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5795697 0.82 P2RX3 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5808337 0.81 P2RX3 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E

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