SCHEMBL28114623

SCHEMBL28114623

O=C(O)C(Cc1ccco1)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
PKM P14618 3/20 0.52
POLB P06746 3/20 0.52
BLM P54132 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PTPN1 P18031 1/20 0.52
PTPN7 P35236 1/20 0.52
ESR2 Q92731 1/20 0.52
GAA P10253 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MIF P14174 1/20 0.45
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5162678 0.84 HPGD (0.47) KMT2APKMPOLBBLML3MBTL1
SCHEMBL11232248 0.81 SLC1A3 (0.50) KMT2APKMPOLBBLML3MBTL1
SCHEMBL11554180 0.79 KMT2A (0.57) KMT2APKMPOLBBLML3MBTL1
SCHEMBL11392151 0.78 MIF (0.56) KMT2APKMPOLBBLML3MBTL1
SCHEMBL8995856 0.78 KMT2A (0.55) KMT2APKMPOLBBLML3MBTL1
SCHEMBL16682783 0.77 CTSS (0.45) KMT2APKMPOLBBLML3MBTL1
SCHEMBL16682789 0.77 CTSS (0.45) KMT2APKMPOLBBLML3MBTL1
SCHEMBL762539 0.76 ALDH1A1 (0.47) KMT2APKMPOLBBLML3MBTL1
SCHEMBL180118 0.76 SLC1A3 (0.54) KMT2APKMPOLBBLML3MBTL1
SCHEMBL1663153 0.76 SLC1A3 (0.54) KMT2APKMPOLBBLML3MBTL1

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-103974959-B Hydrolyzable silane 道康宁公司 2017-03-08 CN disclosed