SCHEMBL6845894

SCHEMBL6845894

COc1c(O)c(C(=O)/C=C/c2ccccc2)c(OC)c(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.72
KCNA3 P22001 6/20 0.67
MAPT P10636 5/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MAOB P27338 2/20 0.61
CYP19A1 P11511 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAOA P21397 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
TNFRSF1A P19438 3/20 0.57
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP1B1 Q16678 2/20 0.54
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL29906111 1.00 ABCB1 (0.72) ABCB1KCNA3MAPTNPSR1MAOB
SCHEMBL29929521 1.00 ABCB1 (0.72) ABCB1KCNA3MAPTNPSR1MAOB
Pedicin SCHEMBL29435840 0.94 ABCB1 (0.72) ABCB1KCNA3MAPTNPSR1MAOB
SCHEMBL1201269 0.91 ABCB1 (0.67) ABCB1KCNA3MAPTNPSR1MAOB
SCHEMBL29225587 0.87 SLC5A1 (0.68) ABCB1MAPTMAOBCYP2C9MAOA
SCHEMBL5441725 0.87 SLC5A1 (0.68) ABCB1MAPTMAOBCYP2C9MAOA
SCHEMBL22283275 0.85 KCNA3 (0.70) ABCB1KCNA3MAPTMAOBCYP2C9
SCHEMBL22283277 0.85 KCNA3 (0.70) ABCB1KCNA3MAPTMAOBCYP2C9
SCHEMBL662265 0.84 ABCB1 (1.00) ABCB1KCNA3MAPTNPSR1MAOB
SCHEMBL662266 0.84 ABCB1 (1.00) ABCB1KCNA3MAPTNPSR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056037-A9 PHARMACEUTICAL COMPOSITION CONTAINING, AS ACTIVE INGREDIENTS, LINDERA ERYTHROCARPA EXTRACTS, FRACTIONS THEREOF, OR COMPOUNDS SEPARATED FROM THE EXTRACTS 재단법인 제주테크노파크 (KR) 2011-07-28 WO disclosed
WO-2011056037-A2 PHARMACEUTICAL COMPOSITION CONTAINING, AS ACTIVE INGREDIENTS, LINDERA ERYTHROCARPA EXTRACTS, FRACTIONS THEREOF, OR COMPOUNDS SEPARATED FROM THE EXTRACTS 재단법인 제주테크노파크 (KR) 2011-05-12 WO disclosed
WO-2010027221-A9 SKIN-WHITENING COMPOSITION COMPRISING AN EXTRACT, FRACTION OR COMPOUND DERIVED FROM LINDERA ERYTHROCARPA 재단법인 제주하이테크산업진흥원 (KR) 2010-09-16 WO disclosed
WO-2010027221-A2 SKIN-WHITENING COMPOSITION COMPRISING AN EXTRACT, FRACTION OR COMPOUND DERIVED FROM LINDERA ERYTHROCARPA 재단법인 제주하이테크산업진흥원 (KR) 2010-03-11 WO disclosed