SCHEMBL16660573

SCHEMBL16660573

O=C(O)c1ccc2c(c1C#Cc1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(O)ccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.66
PTPN1 P18031 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HNF4A P41235 1/20 0.35
CA12 O43570 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL27936863 0.89 PDE4D (0.53) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660604 0.82 PDE4D (0.61) PDE4DRARARARBRARGAKR1C2
SCHEMBL16660681 0.81 PDE4D (0.85) PDE4DPTPN1
SCHEMBL16660633 0.81 PDE4D (0.84) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL30832596 0.80 PDE4D (1.00) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660634 0.80 PDE4D (1.00) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL16660639 0.76 PDE4D (0.82) PDE4DCA12CA1CA2CA9
SCHEMBL27936845 0.71 PDE4D (0.69) PDE4DPTPN1MMP2MMP3MMP9
SCHEMBL31633741 0.69 PDE4D (0.50) PDE4DCA1CA2CA7CA9
SCHEMBL16660640 0.69 PDE4D (1.00) PDE4D

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