SCHEMBL3957342

SCHEMBL3957342

CC(=O)OOC(C)=O.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
KCNN4 O15554 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL11586480 0.92 MAPK1 (0.61) MAPK1ALDH1A1ALOX15TDP1TSHR
Acetone SCHEMBL27544937 0.90 MAPK1 (0.77) MAPK1ALDH1A1ALOX15TDP1TSHR
Acetic Acid SCHEMBL28355097 0.90 MAPK1 (0.77) MAPK1ALDH1A1ALOX15TDP1TSHR
Ethaneperoxoic Acid SCHEMBL3957341 0.88 MAPK1 (0.68) MAPK1ALDH1A1ALOX15TDP1TSHR
Bicarbonate SCHEMBL28837071 0.87 MAPK1 (0.81) MAPK1ALDH1A1ALOX15TDP1TSHR
Bicarbonate SCHEMBL28584905 0.87 MAPK1 (0.81) MAPK1ALDH1A1ALOX15TDP1TSHR
SCHEMBL28103978 0.85 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TDP1TSHR
Hydrogen Peroxide SCHEMBL22163808 0.85 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TDP1TSHR
Cumene Hydroperoxide SCHEMBL7636780 0.83 ALDH1A1 (0.68) MAPK1ALDH1A1ALOX15TDP1TSHR
Methyl Alcohol SCHEMBL28217041 0.83 MAPK1 (0.90) MAPK1ALDH1A1ALOX15TDP1TSHR

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
EP-2078050-A1 1,3-DIPOLAR CYCLOADDITION OF AZIDES TO ALKYNES Henkel AG & Co. KGaA (DE) 2009-07-15 EP disclosed
WO-2008048733-A1 1,3-DIPOLAR CYCLOADDITION OF AZIDES TO ALKYNES HENKEL AG & CO. KGAA (DE) 2008-04-24 WO disclosed
EP-0163188-B1 A GRAFT POLYMER DISPERSION IN A MIXTURE OF LOW MOLECULAR WEIGHT POLYOLS AND POLYETHER POLYOLS AND POLYURETHANE FOAMS PREPARED THEREFROM BASF Corporation (US) 1990-01-31 EP disclosed
US-4202947-A Polyurethane foam prepared from graft copolymers of vinyl monomers and unsaturated polyols containing alkenyl aryl constituents OLIN CORPORATION (US) 1980-05-13 US disclosed
US-4140667-A Graft copolymers from vinyl monomers and unsaturated polyols containing alkenyl aryl constituents and polyurethanes prepared therefrom OLIN CORPORATION (US) 1979-02-20 US disclosed