SCHEMBL8524784

SCHEMBL8524784

C=C(C)C(=O)OC#COOC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
ELANE P08246 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL8526016 0.82 MAPK1 (0.38) MAPK1ALDH1A1ALOX15ELANETDP1
SCHEMBL8526037 0.80 MAPK1 (0.44) MAPK1ALDH1A1ALOX15TDP1TSHR
SCHEMBL16016805 0.79 MAPK1 (0.53) MAPK1ALDH1A1ALOX15ELANETDP1
SCHEMBL27861873 0.77 MAPK1 (0.57) MAPK1ALDH1A1ALOX15ELANETDP1
SCHEMBL15300605 0.76 ALDH1A1 (0.37) ALDH1A1TSHR
Methacrylic Acid SCHEMBL27554889 0.76 MAPK1 (0.65) MAPK1ALDH1A1ALOX15ELANETDP1
Methacrylic Acid SCHEMBL27561274 0.75 MAPK1 (0.63) MAPK1ALDH1A1ALOX15ELANETDP1
SCHEMBL3393201 0.75 ALDH1A1 (0.48) MAPK1ALDH1A1ALOX15ELANETDP1
Ethane SCHEMBL28621749 0.73 ALDH1A1 (0.47) MAPK1ALDH1A1ALOX15ELANETDP1
Methacrylic Acid SCHEMBL28907763 0.72 MAPK1 (0.59) MAPK1ALDH1A1ALOX15ELANETDP1

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
EP-0906937-A1 Graft copolymer obtained by free-radical polymerisation with stable free-radicals, its preparation and uses ELF ATOCHEM S.A. (FR) 1999-04-07 EP disclosed