SCHEMBL16660640

SCHEMBL16660640

COc1ccc(C2(c3ccc(OC)cc3)c3cc(O)ccc3-c3cccc(C#Cc4ccc(O)cc4)c32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 1.00
APP P05067 2/20 0.49
KCNH2 Q12809 1/20 0.36
P4HB P07237 1/20 0.34
LTA4H P09960 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
ESR2 Q92731 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
SCHEMBL16660639 0.91 PDE4D (0.82) PDE4DAPP
SCHEMBL16660641 0.83 PDE4D (0.71) PDE4D
SCHEMBL16660570 0.78 PDE4D (0.64) PDE4D
SCHEMBL16660681 0.74 PDE4D (0.85) PDE4DAPP
SCHEMBL27950604 0.72 PDE4D (0.56) PDE4DAPP
SCHEMBL16660683 0.71 PDE4D (0.84) PDE4DAPPKCNH2
SCHEMBL29462973 0.71 PDE4D (0.53) PDE4DAPPLTA4HABL1ABCB1
SCHEMBL649109 0.71 PDE4D (0.53) PDE4DAPPLTA4HABL1ABCB1
SCHEMBL16660604 0.70 PDE4D (0.61) PDE4DAPP
SCHEMBL30689253 0.70 ESR2 (0.58) PDE4DAPPLTA4HABL1ABCB1

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
CN-103588616-B A kind of Selaginella pulvinata extract and its preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2015-09-09 CN disclosed
WO-2015055116-A1 SELAGINELLA PULVINATA EXTRACTIVE AND PREPARATION METHOD AND APPLICATION THEREOF 中山大学 2015-04-23 WO disclosed
CN-103588616-A Selaginella pulvinata extract as well as preparation method and applications thereof UNIV SUN YAT SEN 2014-02-19 CN disclosed