SCHEMBL28257547

SCHEMBL28257547

O=C(O)c1ccoc1C(=O)O.O=C(O)c1ccoc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 1/20 0.42
TP53 P04637 2/20 0.40
ACLY P53396 1/20 0.38
POLB P06746 2/20 0.37
ESR1 P03372 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HMGB1 P09429 1/20 0.36

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
SCHEMBL38507 1.00 L3MBTL1 (0.45) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
SCHEMBL28872294 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
Bromide SCHEMBL28497865 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
SCHEMBL28059458 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
SCHEMBL28829681 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
Bicarbonate SCHEMBL28887905 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
Calcium SCHEMBL31344979 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4441902 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL30218348 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2
SCHEMBL30027079 0.98 L3MBTL1 (0.44) L3MBTL1TDP1KMT2AALDH1A1CYP1A2

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-108929440-A Blocked copolyester, preparation method and barrier film, barrier bottle 中国科学院宁波材料技术与工程研究所 2018-12-04 CN disclosed