SCHEMBL16660683

SCHEMBL16660683

COc1ccc(C#Cc2c(CO)ccc3c2C(c2ccc(OC)cc2)(c2ccc(OC)cc2)c2cc(OC)ccc2-3)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.84
PTPN1 P18031 3/20 0.42
APP P05067 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL16660634 0.81 PDE4D (1.00) PDE4DPTPN1APPMMP2MMP3
SCHEMBL16660604 0.81 PDE4D (0.61) PDE4DAPP
SCHEMBL16660642 0.80 PDE4D (0.83) PDE4DAPPALDH1A1KCNH2
SCHEMBL16660641 0.72 PDE4D (0.71) PDE4D
SCHEMBL16660640 0.71 PDE4D (1.00) PDE4DAPPKCNH2
SCHEMBL16660681 0.67 PDE4D (0.85) PDE4DPTPN1APP
SCHEMBL16660570 0.67 PDE4D (0.64) PDE4DALDH1A1
SCHEMBL28946807 0.65 PDK2 (0.51) APPKDM4EALDH1A1
SCHEMBL29755754 0.65 PDK2 (0.51) APPKDM4EALDH1A1
SCHEMBL12374342 0.65 PDE4D (0.44) PDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015055116-A1 SELAGINELLA PULVINATA EXTRACTIVE AND PREPARATION METHOD AND APPLICATION THEREOF 中山大学 2015-04-23 WO disclosed