SCHEMBL5797409

SCHEMBL5797409

O=C(O)c1ccc(C=C(CC(O)c2cccc3ccccc23)CN2CCCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PER2 O15055 1/20 0.38
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHODH Q02127 1/20 0.37
CASR P41180 4/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SRD5A2 P31213 1/20 0.35
PKM P14618 1/20 0.35
GRK2 P25098 1/20 0.35
MAPK1 P28482 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NQO2 P16083 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL5799320 0.91 HDAC1 (0.40) HTTLMNAPER2NQO2
SCHEMBL5798794 0.90 NQO2 (0.40) HTTLMNASMN1; SMN2PER2HPGD
SCHEMBL5796057 0.82 CYP2C9 (0.40) HTTSMN1; SMN2CYP2C9HPGDCYP2C19
SCHEMBL5797812 0.77 DHODH (0.42) HTTSMN1; SMN2CYP2C9HPGDCYP2C19
SCHEMBL5796765 0.74 MAPT (0.41) HTTSMN1; SMN2CYP2C9HPGDCYP2C19
SCHEMBL5799640 0.74 MAPT (0.52) HTTDHODHPOLBALDH1A1RCE1
SCHEMBL5796847 0.72 HDAC6 (0.40) HTTCYP2C9HPGDCYP2C19
SCHEMBL5799741 0.72 ALDH1A1 (0.40) LMNASMN1; SMN2DHODHALDH1A1MAPK1
SCHEMBL5799669 0.71 IDO1 (0.39) HTTCYP2C9HPGDCYP2C19DHODH
SCHEMBL5813399 0.71 P2RX3 (0.49) HTTLMNASMN1; SMN2CYP2C9HPGD

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