SCHEMBL5799669

SCHEMBL5799669

O=C(O)c1ccc(C=C(CC(O)c2cccc3ccccc23)CC2C(=O)Nc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.39
TDO2 P48775 4/20 0.39
DHODH Q02127 1/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PIM1 P11309 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33

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
SCHEMBL5795433 0.90 IDO1 (0.40) IDO1TDO2KDM4ENPC1RXFP1
SCHEMBL5795631 0.90 MAPT (0.36) IDO1TDO2EGFRKDM4ENPC1
SCHEMBL5797812 0.74 DHODH (0.42) DHODHKDM4ECYP2C9HPGDCYP2C19
SCHEMBL5796057 0.74 CYP2C9 (0.40) DHODHKDM4EATMCYP2C9HPGD
SCHEMBL5797409 0.71 HTT (0.40) DHODHCYP2C9HPGDCYP2C19HTT
SCHEMBL5796765 0.71 MAPT (0.41) DHODHKDM4ECYP2C9HPGDCYP2C19
SCHEMBL5799640 0.70 MAPT (0.52) DHODHKDM4EATMHTT
SCHEMBL5799741 0.68 ALDH1A1 (0.40) DHODHKDM4ENPC1
SCHEMBL1302976 0.68 EGFR (0.69) IDO1TDO2EGFRKDM4EHPGD
SCHEMBL5799654 0.67 NPC1 (0.39) DHODHKDM4ECYP2C9HPGDNPC1

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