SCHEMBL1122724

SCHEMBL1122724

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2cccc(OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 2/20 0.54
RAB9A P51151 1/20 0.54
ERAP2 Q6P179 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL5936635 0.94 KMT2A (0.57) KMT2AALDH1A1L3MBTL1KDM4ENPSR1
SCHEMBL1122839 0.85 GAA (0.68) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL1122647 0.83 GAA (0.59) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL1123382 0.81 GAA (0.71) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL1123055 0.81 GAA (0.80) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL1122834 0.80 GAA (0.75) KMT2AALDH1A1L3MBTL1GAARAB9A
SCHEMBL1122720 0.80 GAA (0.59) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL1123233 0.79 GAA (0.54) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL1123370 0.79 GAA (0.73) KMT2AALDH1A1GAARAB9AERAP2
SCHEMBL6030161 0.79 GAA (0.77) KMT2AALDH1A1L3MBTL1GAARAB9A

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed