SCHEMBL13121634

SCHEMBL13121634

COc1c(CC(C)O)c2c3c(CC(C)O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.49
TCF4 P15884 7/20 0.49
CDH1 P12830 2/20 0.49
APC P25054 2/20 0.49
TCF7L2 Q9NQB0 2/20 0.49
MGAM O43451 7/20 0.40
HDAC1 Q13547 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
SYK P43405 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 1/20 0.36

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
Cercosporin SCHEMBL29613349 0.81 TCF4 (0.71) CTNNB1TCF4CDH1APCTCF7L2
Cercosporin SCHEMBL6305985 0.81 TCF4 (0.71) CTNNB1TCF4CDH1APCTCF7L2
Cercosporin SCHEMBL498747 0.81 TCF4 (0.71) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29929662 0.81 CTNNB1 (0.68) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711267 0.81 CTNNB1 (0.68) CTNNB1TCF4CDH1APCTCF7L2
Cercosporin SCHEMBL28102616 0.80 TCF4 (0.70) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL3673245 0.80 MGAM (0.40) CTNNB1TCF4MGAMCTSV
Cercosporin SCHEMBL21175561 0.77 TCF4 (0.65) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL15507806 0.76 CTNNB1 (0.35) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL22930428 0.76 TCF4 (0.64) CTNNB1TCF4CDH1APCTCF7L2

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
US-7816563-B1 Method for preparing hypocrellin Alberta Innovates-Technology Futures (CA) 2010-10-19 US disclosed
US-7816563-B1 Method for preparing hypocrellin Alberta Innovates-Technology Futures (CA) 2010-10-19 US disclosed