SCHEMBL16660642

SCHEMBL16660642

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

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.83
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TRIM24 O15164 1/20 0.37
TYR P14679 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
ERN1 O75460 1/20 0.35
APP P05067 2/20 0.34
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
SCHEMBL16660604 0.81 PDE4D (0.61) PDE4DAPP
SCHEMBL16660633 0.81 PDE4D (0.84) PDE4D
SCHEMBL16660683 0.80 PDE4D (0.84) PDE4DALDH1A1APPKCNH2
SCHEMBL16660641 0.70 PDE4D (0.71) PDE4D
SCHEMBL16660640 0.69 PDE4D (1.00) PDE4DAPPKCNH2
SCHEMBL9881727 0.67 ERN1 (0.51) PDE4DALDH1A1TDP1L3MBTL1ATM
SCHEMBL29755754 0.65 PDK2 (0.51) ALDH1A1APP
SCHEMBL28946807 0.65 PDK2 (0.51) ALDH1A1APP
SCHEMBL16660681 0.65 PDE4D (0.85) PDE4DAPP
SCHEMBL16660570 0.64 PDE4D (0.64) 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