SCHEMBL16660639

SCHEMBL16660639

Oc1ccc(C#Cc2cccc3c2C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cc(O)ccc2-3)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.82
PDK2 Q15119 2/20 0.35
APP P05067 3/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CNR1 P21554 1/20 0.30
HTT P42858 1/20 0.30
GPR35 Q9HC97 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL16660640 0.91 PDE4D (1.00) PDE4DAPP
SCHEMBL16660681 0.79 PDE4D (0.85) PDE4DAPPCNR1HTTGPR35
SCHEMBL30832596 0.77 PDE4D (1.00) PDE4DAPP
SCHEMBL16660634 0.77 PDE4D (1.00) PDE4DAPP
SCHEMBL16660633 0.76 PDE4D (0.84) PDE4D
SCHEMBL16660573 0.76 PDE4D (0.66) PDE4DCA12CA1CA2CA9
SCHEMBL16660570 0.76 PDE4D (0.64) PDE4DPDK2HTT
SCHEMBL27950604 0.74 PDE4D (0.56) PDE4DPDK2APP
SCHEMBL18184907 0.74 PDE4D (0.50) PDE4D
SCHEMBL16652902 0.74 PDE4D (0.49) PDE4DAPPCA12CA2CA9

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