SCHEMBL5309587

SCHEMBL5309587

CCOC(=O)C(CC(=O)c1ccc(OC)cc1)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.57
HDAC4 P56524 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL6284563 0.92 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22281426 0.87 GSK3B (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1373049 0.86 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5106183 0.86 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2882513 0.86 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7059758 0.83 KMT2A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19642535 0.83 GSK3B (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL928739 0.82 KMT2A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28802831 0.82 L3MBTL1 (0.54) GSK3BALDH1A1KMT2ANPC1MEN1
SCHEMBL4226890 0.82 KMT2A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
CN-1151126-C 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses ������������ʽ���� 2004-05-26 CN disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
CN-1168372-A 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-12-24 CN disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed