SCHEMBL6691216

SCHEMBL6691216

O=C(O)C=C(c1ccc(O)cc1)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA6 P23280 1/20 0.53
CA9 Q16790 1/20 0.53
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
PARP1 P09874 1/20 0.47
MMP9 P14780 1/20 0.47
CES2 O00748 1/20 0.46
KDM4E B2RXH2 2/20 0.44
EGLN2 Q96KS0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CHRNA7 P36544 2/20 0.43
TTR P02766 1/20 0.42
FASN P49327 1/20 0.42
P4HB P07237 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 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
SCHEMBL12473724 0.87 CES2 (0.59) CA12CA1CA2CA6CA9
SCHEMBL6688051 0.87 CES2 (0.59) CA12CA1CA2CA6CA9
SCHEMBL12473723 0.87 CES2 (0.59) CA12CA1CA2CA6CA9
SCHEMBL8937260 0.77 CES2 (0.55) CES2KDM4EALDH1A1KMT2AMAPT
SCHEMBL8937266 0.77 CES2 (0.55) CES2KDM4EALDH1A1KMT2AMAPT
SCHEMBL8937263 0.77 CES2 (0.55) CES2KDM4EALDH1A1KMT2AMAPT
SCHEMBL63954 0.77 CES1 (0.50) CA12CA1CA2CA6CA9
Paraben SCHEMBL9489073 0.76 CA12 (0.83) CA12CA1CA2CA6CA9
SCHEMBL23259265 0.75 MAPT (0.49) CA12CA1CA2CA9PARP1
SCHEMBL6339843 0.75 CA12 (0.57) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004084854-A1 COSMETIC USE OF CINNAMIC ACID DERIVATIVES AS LIGHTENING AGENTS L'OREAL (FR) 2004-10-07 WO claimed
WO-2004084854-A1 COSMETIC USE OF CINNAMIC ACID DERIVATIVES AS LIGHTENING AGENTS L'OREAL (FR) 2004-10-07 WO disclosed