SCHEMBL8580424

SCHEMBL8580424

[CH2]c1cc(C(=O)CC)c(C(=O)CC)c(C(=O)CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
PTGS1 P23219 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 1/20 0.47
HSP90AB1 P08238 1/20 0.42
HMGCR P04035 1/20 0.40
POLB P06746 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CA9 Q16790 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MAPT P10636 2/20 0.32
UBE2N P61088 1/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7300067 0.80 KMT2A (0.48) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL7300081 0.80 MEN1 (0.65) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL8578355 0.72 HSP90AB1 (0.46) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL7304067 0.71 KMT2A (0.43) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL7193425 0.67 CYP3A4 (0.44) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL30918369 0.65 HSP90AB1 (0.47) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL13456583 0.65 HSP90AB1 (0.47) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL13456692 0.65 HSP90AB1 (0.47) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL7308290 0.65 HSP90AB1 (0.52) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL7220374 0.65 L3MBTL1 (0.44) MEN1KMT2AHSP90AB1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed