SCHEMBL3673245

SCHEMBL3673245

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 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.40
CYP3A4 P08684 2/20 0.40
TCF4 P15884 3/20 0.38
CTNNB1 P35222 3/20 0.38
HTT P42858 1/20 0.37
CTSV O60911 1/20 0.36
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL13121634 0.80 CTNNB1 (0.49) MGAMTCF4CTNNB1CTSV
SCHEMBL498425 0.77 CTNNB1 (0.37) CYP3A4TCF4CTNNB1KDM4E
SCHEMBL15507806 0.77 CTNNB1 (0.35) MGAMTCF4CTNNB1
SCHEMBL4597518 0.69 CTNNB1 (0.49) CYP3A4TCF4CTNNB1
SCHEMBL29398657 0.68 MEN1 (0.47) MGAMHTTCTSV
SCHEMBL13121633 0.68 MEN1 (0.47) MGAMHTTCTSV
SCHEMBL25994268 0.67 ALDH1A1 (0.49) MGAMCYP3A4MAOAKDM4E
SCHEMBL16056240 0.65 CYP3A4 (0.39) CYP3A4MAOA
SCHEMBL14930217 0.65 KDM4E (0.39) MGAMCYP3A4KDM4EUSP2
SCHEMBL22212454 0.65 MEN1 (0.38) MGAMCTSV

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