SCHEMBL11680967

SCHEMBL11680967

[CH2]CCC(=O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.52
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43
TUBB1 Q9H4B7 3/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
STAT6 P42226 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11678563 0.86 PDE4D (0.55) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL4118586 0.83 HTT (0.53) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL4128743 0.82 PDE4B (0.51) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL4133074 0.82 PDE4D (0.51) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL6717832 0.81 PDE4D (0.56) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL27860093 0.81 PDE4D (0.56) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL7198258 0.81 PDE4D (0.50) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL4255074 0.81 PDE4D (0.53) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL4120097 0.81 PDE4D (0.50) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL4126956 0.81 PDE4D (0.50) PDE4DMAPTTDP1LMNAMAPK1

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
US-4028348-A 6-Amino-5β,19-cycloandrostane derivatives RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1977-06-07 US disclosed