SCHEMBL1411063

SCHEMBL1411063

COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
KLK7 P49862 1/20 0.77
HDAC6 Q9UBN7 2/20 0.71
KDM4E B2RXH2 9/20 0.68
ALDH1A1 P00352 7/20 0.68
HPGD P15428 7/20 0.68
HSD17B10 Q99714 7/20 0.68
CYP3A4 P08684 5/20 0.68
PPARG P37231 3/20 0.67
PTPN1 P18031 1/20 0.67
XDH P47989 1/20 0.58
MAPT P10636 7/20 0.56
ALOX15 P16050 2/20 0.56
RECQL P46063 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CYP2D6 P10635 3/20 0.55

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
Castanin SCHEMBL572274 0.87 RAB9A (1.00) RAB9AKLK7HDAC6KDM4EALDH1A1
SCHEMBL18825571 0.87 HDAC6 (0.70) RAB9AKLK7HDAC6KDM4EALDH1A1
SCHEMBL2971118 0.87 XDH (0.76) RAB9AKLK7HDAC6KDM4EALDH1A1
Glycitein SCHEMBL4725635 0.85 HDAC6 (0.78) RAB9AKLK7HDAC6KDM4EALDH1A1
Xenognosin B SCHEMBL72611 0.84 KDM4E (0.83) RAB9AHDAC6KDM4EALDH1A1HPGD
Xenognosin B SCHEMBL30851576 0.84 KDM4E (0.83) RAB9AHDAC6KDM4EALDH1A1HPGD
Glycitein SCHEMBL7733712 0.83 HDAC6 (1.00) RAB9AKLK7HDAC6KDM4EALDH1A1
Glycitein SCHEMBL19720 0.83 HDAC6 (1.00) RAB9AKLK7HDAC6KDM4EALDH1A1
Glycitein SCHEMBL29497281 0.83 HDAC6 (1.00) RAB9AKLK7HDAC6KDM4EALDH1A1
SCHEMBL5426172 0.83 HDAC6 (0.81) RAB9AKLK7HDAC6KDM4EALDH1A1

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
US-8633203-B2 Use of pterocarpans as active anti-cellulite ingredients SYMRISE AG (DE) 2014-01-21 US claimed
EP-2295031-B1 Use of pterocarpans as anti-cellulite agents SYMRISE AG (DE) 2018-01-10 EP disclosed
EP-2295031-A2 Use of pterocarpans as anti-cellulite agents Symrise AG (DE) 2011-03-16 EP disclosed