SCHEMBL10764992

SCHEMBL10764992

CC(=O)c1cc(C(=O)c2ccc(O)c(O)c2O)c(O)c(O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 3/20 0.44
NSD2 O96028 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 3/20 0.44
RECQL P46063 2/20 0.44
ALOX12 P18054 2/20 0.43
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL9640017 0.84 HDAC1 (0.68) HDAC1SELLSELPMAPTKDM4E
SCHEMBL29942817 0.84 HDAC1 (0.67) HDAC1SELLSELPMAPTKDM4E
SCHEMBL6842055 0.84 HDAC1 (0.67) HDAC1SELLSELPMAPTKDM4E
Gallacetophenone SCHEMBL105704 0.82 SELL (0.62) HDAC1SELLSELPMAPTKDM4E
Gallacetophenone SCHEMBL29537961 0.82 SELL (0.62) HDAC1SELLSELPMAPTKDM4E
SCHEMBL1063407 0.82 SELL (0.68) HDAC1SELLSELPMAPTKDM4E
SCHEMBL9639056 0.81 HDAC1 (0.55) HDAC1SELLSELPMAPTKDM4E
SCHEMBL10768257 0.79 HDAC1 (0.61) HDAC1SELLSELPMAPTKDM4E
SCHEMBL10769739 0.78 HDAC1 (0.55) HDAC1SELLSELPMAPTKDM4E
SCHEMBL10498460 0.78 MEN1 (0.55) HDAC1SELLSELPMAPTKDM4E

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-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed