SCHEMBL28813465

SCHEMBL28813465

C=C(C(=O)OC)c1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
PNLIP P16233 7/20 0.50
ATM Q13315 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.45
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
CYP11B1 P15538 1/20 0.44
RAB9A P51151 1/20 0.44
CTNNB1 P35222 1/20 0.43

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
SCHEMBL22406943 0.85 MAPT (0.55) MAPTPNLIPATMALDH1A1GAA
SCHEMBL6340227 0.85 MAPT (0.52) MAPTPNLIPATMALDH1A1GAA
SCHEMBL27977125 0.83 MAPT (0.52) MAPTPNLIPATMALDH1A1GAA
SCHEMBL10094759 0.83 PNLIP (0.41) MAPTPNLIPATMALDH1A1HPGD
SCHEMBL9949101 0.81 L3MBTL1 (0.51) MAPTPNLIPATMALDH1A1GAA
SCHEMBL10093205 0.81 L3MBTL1 (0.51) MAPTPNLIPATMALDH1A1GAA
SCHEMBL22407058 0.81 ABCG2 (0.48) MAPTPNLIPHPGDMEN1KMT2A
SCHEMBL9949099 0.81 L3MBTL1 (0.51) MAPTPNLIPATMALDH1A1GAA
SCHEMBL2303571 0.79 MAPT (0.60) MAPTPNLIPATMALDH1A1GAA
SCHEMBL6558492 0.78 CTSD (0.56) MAPTALDH1A1GAAHPGDKMT2A

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
CN-104136410-A CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS INC 2014-11-05 CN disclosed