SCHEMBL9502462

SCHEMBL9502462

CCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)N(C)CCCC)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HDAC1 Q13547 5/20 0.50
HDAC3 O15379 3/20 0.50
EPHX2 P34913 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC4 P56524 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 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
SCHEMBL9503820 0.83 GAA (0.73) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL9505648 0.83 GAA (0.73) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL9503771 0.82 GAA (0.71) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL9506191 0.82 GAA (0.71) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL9361612 0.82 MAPT (0.55) GAAHDAC1THRATHRBMEN1
SCHEMBL9506185 0.81 GAA (0.70) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL9505521 0.80 GAA (0.67) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL17817424 0.78 GAA (0.76) GAATDP1L3MBTL1HDAC1MEN1
SCHEMBL9423801 0.78 TDP1 (1.00) GAATDP1L3MBTL1HDAC1HDAC3
SCHEMBL8368156 0.78 GAA (0.76) GAATDP1L3MBTL1HDAC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed