SCHEMBL1123233

SCHEMBL1123233

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCC(=O)Nc2ccccc2C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
ERAP2 Q6P179 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
YAP1 P46937 10/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL1123346 0.93 GPR34 (0.54) PPARGACEGPR34GPR132
SCHEMBL1122647 0.83 GAA (0.59) GAARAB9AERAP2LNPEPYAP1
SCHEMBL1123055 0.81 GAA (0.80) GAARAB9AERAP2LNPEPYAP1
SCHEMBL1122724 0.79 KMT2A (0.56) GAARAB9AERAP2LNPEPMEN1
SCHEMBL1123231 0.79 GAA (0.58) GAARAB9AERAP2LNPEPYAP1
SCHEMBL1122925 0.78 GAA (0.75) GAARAB9AERAP2LNPEPYAP1
SCHEMBL1122834 0.78 GAA (0.75) GAARAB9AERAP2LNPEPYAP1
SCHEMBL1123370 0.77 GAA (0.73) GAARAB9AERAP2LNPEPYAP1
SCHEMBL6030161 0.77 GAA (0.77) GAARAB9AERAP2LNPEPYAP1
SCHEMBL1123312 0.75 GPR34 (0.59) PPARGGPR34GPR132

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