SCHEMBL28760154

SCHEMBL28760154

COc1ccc2c(c1)-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.86
ACHE P22303 2/20 0.86
POLB P06746 2/20 0.77
CASP6 P55212 2/20 0.77
KMT2A Q03164 2/20 0.77
KDM4E B2RXH2 2/20 0.77
LMNA P02545 2/20 0.77
TDP2 O95551 1/20 0.77
MAPT P10636 1/20 0.77
RAD52 P43351 1/20 0.77
DRD2 P14416 5/20 0.71
ADRA1A P35348 3/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1B P35368 2/20 0.71
MEN1 O00255 1/20 0.71
APAF1 O14727 1/20 0.71
GAA P10253 1/20 0.71
RAB9A P51151 1/20 0.71
CASP7 P55210 1/20 0.71
DYRK1A Q13627 1/20 0.71

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
SCHEMBL29751877 1.00 BCHE (0.86) BCHEACHEPOLBCASP6KMT2A
SCHEMBL29787226 1.00 BCHE (0.86) BCHEACHEPOLBCASP6KMT2A
Isolaureline SCHEMBL29761843 0.93 BCHE (1.00) BCHEACHEPOLBCASP6KMT2A
Dicentrine SCHEMBL28850766 0.87 KDM4E (1.00) BCHEACHEPOLBCASP6KMT2A
Dicentrine SCHEMBL31237335 0.87 KDM4E (1.00) BCHEACHEPOLBCASP6KMT2A
Dicentrine SCHEMBL679684 0.87 KDM4E (1.00) BCHEACHEPOLBCASP6KMT2A
Dicentrine SCHEMBL6369440 0.87 KDM4E (1.00) BCHEACHEPOLBCASP6KMT2A
Dicentrine SCHEMBL30475130 0.87 KDM4E (1.00) BCHEACHEPOLBCASP6KMT2A
Dicentrine SCHEMBL31237199 0.87 KDM4E (1.00) BCHEACHEPOLBCASP6KMT2A
Neolitsine SCHEMBL31029789 0.85 POLB (0.81) BCHEACHEPOLBCASP6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103619414-B Use at least one dihydroxy flavanols, manganese salt or zinc salt, hydrogen peroxide, carbonic acid(Hydrogen)The hair-dyeing method of salt, basifier and magnesium salts, molybdenum salt or calcium salt 欧莱雅 2017-06-09 CN disclosed
CN-103619414-A Hair dyeing process employing at least one dihydroxyflavanol, a manganese or zinc salt, hydrogen peroxide, (bi)carbonate, an alkaline agent and a magnesium, molybdenum or calcium salt OREAL 2014-03-05 CN disclosed
CN-1923813-A Aporphine and use of oxidized aporphine alkaloid SHANGHAI INST MATERIA MEDICA (CN) 2007-03-07 CN disclosed