SCHEMBL4608592

SCHEMBL4608592

COCC(=O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.55
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HPGDS O60760 1/20 0.45
TUBB1 Q9H4B7 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6717832 0.84 PDE4D (0.56) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL27860093 0.84 PDE4D (0.56) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL11678563 0.82 PDE4D (0.55) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL4312690 0.82 HPGDS (0.61) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL8544960 0.82 PDE4D (0.58) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL10497175 0.82 KDM4E (0.47) PDE4DMAPTPKMALDH1A1MEN1
SCHEMBL11680967 0.79 PDE4D (0.52) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL4118586 0.79 HTT (0.53) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL9726919 0.79 MAPT (0.58) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL4128743 0.78 PDE4B (0.51) PDE4DMAPTTDP1PKMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976818-A2 CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2008-10-08 EP disclosed
WO-2007083060-A2 NOVEL CHALCONE DERIVATIVES WITH ANTIMITOTIC ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2007-07-26 WO disclosed