SCHEMBL16660634

SCHEMBL16660634

OCc1ccc2c(c1C#Cc1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(O)ccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 1.00
PTPN1 P18031 5/20 0.49
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
MMP9 P14780 2/20 0.48
APP P05067 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
SCHEMBL30832596 1.00 PDE4D (1.00) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660681 0.82 PDE4D (0.85) PDE4DPTPN1APP
SCHEMBL16660683 0.81 PDE4D (0.84) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660633 0.80 PDE4D (0.84) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660573 0.80 PDE4D (0.66) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660639 0.77 PDE4D (0.82) PDE4DAPP
SCHEMBL31633741 0.70 PDE4D (0.50) PDE4D
SCHEMBL16660640 0.70 PDE4D (1.00) PDE4DAPP
SCHEMBL27936863 0.69 PDE4D (0.53) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL27936845 0.69 PDE4D (0.69) PDE4DPTPN1MMP2MMP3MMP9

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