SCHEMBL9505645

SCHEMBL9505645

O=CC(=O)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 5/20 0.50
TP53 P04637 1/20 0.50
PLA2G7 Q13093 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
DAO P14920 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
SCHEMBL1165058 0.98 LMNA (0.52) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL27682845 0.89 ALDH1A1 (0.43) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL18838919 0.84 LMNA (0.56) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL27581022 0.84 LMNA (0.56) LMNAF2ALDH1A1TDP1MAPK1
Formic Acid SCHEMBL27875019 0.82 LMNA (0.58) LMNAF2ALDH1A1TDP1MAPK1
Hydrogen Peroxide SCHEMBL27952375 0.81 LMNA (0.70) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL52413 0.81 LMNA (0.70) LMNAF2ALDH1A1TDP1MAPK1
Benzene SCHEMBL27793442 0.81 LMNA (0.70) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL1053277 0.81 AKT1 (0.54) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL4645327 0.81 TSHR (0.54) LMNAF2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658750-A A kind of synthetic method of medicine intermediate 2- formyl carbonyl benzoic acids 成都中恒华铁科技有限公司 2018-10-16 CN disclosed
EP-0267047-B1 BLEACHING COMPOSITIONS, GLYCOLATE ESTER PERACIDS AND PRECURSORS The Clorox Company (US) 1993-08-04 EP disclosed
US-4959187-A Glycolate ester peracid precursors THE CLOROX COMPANY (US) 1990-09-25 US disclosed
US-4778618-A AND SOURCE OF HYDROGEN PEROXIDE; BLEACHING TEXTILES OVER NIDE TEMPERATURE RANGE THE CLOROX COMPANY (US) 1988-10-18 US disclosed
EP-0267047-A2 Bleaching compositions, glycolate ester peracids and precursors The Clorox Company (US) 1988-05-11 EP disclosed