SCHEMBL5796084

SCHEMBL5796084

O=C(O)c1ccc(C=C(CNCCOc2ccccc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNA3 P22001 1/20 0.44
DAPK1 P53355 1/20 0.44
PIM3 Q86V86 1/20 0.44
HTR1B P28222 3/20 0.44
HTR1D P28221 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PKM P14618 1/20 0.41
OGG1 O15527 1/20 0.41

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
SCHEMBL5795713 0.92 MAPT (0.46) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL5799284 0.92 P2RX3 (0.57) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306385 0.84 KMT2A (0.48) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306387 0.84 KMT2A (0.48) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1307026 0.83 P2RX3 (0.45) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1307028 0.83 P2RX3 (0.45) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306832 0.82 P2RX3 (0.47) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306831 0.82 P2RX3 (0.47) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306833 0.82 P2RX3 (0.47) P2RX3KDM4EALDH1A1HPGDTDP1
SCHEMBL1306873 0.82 P2RX3 (0.57) P2RX3KDM4EALDH1A1HPGDTDP1

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