SCHEMBL8116296

SCHEMBL8116296

O=C(CCCOC1CCCCC1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
EPHX2 P34913 1/20 0.44
EPHX1 P07099 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCKBR P32239 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL27604883 0.91 KMT2A (0.41) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL26751106 0.88 BCHE (0.46) ALDH1A1KMT2AEPHX2TDP1BCHE
SCHEMBL29523808 0.87 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2AMEN1EPHX2
SCHEMBL11046760 0.85 NAAA (0.52) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL24246694 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL11043206 0.83 NAAA (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL20859045 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL18686104 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1EPHX2EPHX1
SCHEMBL26651242 0.80 MEN1 (0.48) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL6181708 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 EP disclosed