SCHEMBL28234166

SCHEMBL28234166

CC(O)c1cccc(OB(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 1/20 0.40
AOC3 Q16853 2/20 0.38
ACHE P22303 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
CYP2D6 P10635 1/20 0.36
ENPP2 Q13822 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL3120439 0.87 KDM4E (0.45) MEN1KMT2APTGS1AOC3ACHE
SCHEMBL27720748 0.83 PTGS1 (0.38) MEN1KMT2APTGS1AOC3ACHE
Ethylene Glycol SCHEMBL28804481 0.81 KDM4E (0.44) MEN1KMT2APTGS1AOC3ACHE
SCHEMBL6912472 0.80 PTGS1 (0.58) UGT2B7MEN1KMT2APTGS1AOC3
SCHEMBL6912468 0.80 PTGS1 (0.58) UGT2B7MEN1KMT2APTGS1AOC3
SCHEMBL343726 0.79 AOC3 (0.57) UGT2B7AOC3ACHEL3MBTL1
SCHEMBL43520 0.79 AOC3 (0.57) UGT2B7AOC3ACHEL3MBTL1
SCHEMBL43735 0.79 AOC3 (0.57) UGT2B7AOC3ACHEL3MBTL1
SCHEMBL6677730 0.77 ENPP2 (0.41) MEN1KMT2AACHEENPP2
SCHEMBL6055421 0.77 RXRA (0.47) UGT2B7MEN1KMT2APTGS1ACHE

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
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN disclosed