SCHEMBL8525638

SCHEMBL8525638

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
MAPK1 P28482 3/20 0.37
AKR1B10 O60218 6/20 0.36
AKR1B1 P15121 6/20 0.36
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 3/20 0.33
ALOX5 P09917 4/20 0.32
TTR P02766 3/20 0.32
THRB P10828 1/20 0.32
APP P05067 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX12 P18054 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 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
SCHEMBL2772376 0.87 MAPK1 (0.43) HCAR2MAPK1AKR1B10AKR1B1MAOB
SCHEMBL10435073 0.84 MAPK1 (0.42) HCAR2MAPK1AKR1B10AKR1B1MAOB
SCHEMBL8526043 0.82 MAPK1 (0.43) MAPK1ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL8526435 0.81 ATM (0.33) HCAR2
SCHEMBL9242885 0.80 MAPK1 (0.43) HCAR2MAPK1AKR1B10AKR1B1ALDH1A1
SCHEMBL7692322 0.78 HCAR2 (0.35) HCAR2MAPK1AKR1B10AKR1B1MAOB
SCHEMBL9862015 0.78 HCAR2 (0.35) HCAR2MAPK1AKR1B10AKR1B1MAOB
SCHEMBL4224940 0.75 CYP2D6 (0.38) HCAR2MAPK1AKR1B10AKR1B1ALDH1A1
SCHEMBL9862043 0.73 MAPK1 (0.39) MAPK1ALDH1A1ALOX15THRBMEN1
SCHEMBL10435435 0.73 MAPK1 (0.34) MAPK1ALDH1A1ALOX15

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