SCHEMBL27705294

SCHEMBL27705294

C=CCC(=O)O.C=CCOC(=O)/C=C\C(=O)OCC=C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
APP P05067 1/20 0.42
HCAR2 Q8TDS4 6/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ABCC4 O15439 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9706920 0.94 MAPT (0.51) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL28068994 0.88 TSHR (0.43) MAPTCACNA1BAPBA1APPCYP3A4
SCHEMBL36375 0.87 MAPT (0.69) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL36140 0.87 MAPT (0.69) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL36139 0.87 MAPT (0.69) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL6885967 0.87 MAPT (0.69) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL7809907 0.84 MAPT (0.67) MAPTCACNA1BAPBA1APPHCAR2
Ethylene SCHEMBL28241615 0.84 MAPT (0.67) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL7809914 0.84 MAPT (0.67) MAPTCACNA1BAPBA1APPHCAR2
SCHEMBL29973550 0.84 MAPT (0.53) MAPTCACNA1BAPBA1APPHCAR2

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
CN-101163523-B Tooth whitening compositions containing cross-linked polymer-peroxide COLGATE PALMOLIVE CO 2013-06-19 CN disclosed
CN-101163523-A Tooth whitening compositions containing cross-linked polymer-peroxide COLGATE PALMOLIVE CO (US) 2008-04-16 CN disclosed