SCHEMBL8107320

SCHEMBL8107320

O=C(CCCC1CCCCC1)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KLK7 P49862 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EPHX2 P34913 2/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL8116326 0.95 SIGMAR1 (0.48) SIGMAR1KLK7NPC1RAB9AALDH1A1
SCHEMBL8117531 0.92 KLK7 (0.47) KLK7NPC1RAB9AALDH1A1LMNA
SCHEMBL4068078 0.79 SIGMAR1 (0.53) SIGMAR1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL20032175 0.79 KLK7 (0.49) KLK7RAB9ALMNAMEN1KMT2A
SCHEMBL7636986 0.78 MEN1 (0.48) SIGMAR1KLK7NPC1RAB9AALDH1A1
SCHEMBL8122450 0.78 NPC1 (0.40) NPC1ALDH1A1MEN1KMT2AEPHX2
SCHEMBL6263987 0.76 SIGMAR1 (0.54) SIGMAR1NPC1RAB9AALDH1A1CYSLTR2
SCHEMBL22907210 0.75 NPC1 (0.47) NPC1RAB9AALDH1A1EPHX2
SCHEMBL15869138 0.75 NPC1 (0.50) NPC1ALDH1A1MEN1KMT2AHDAC3
SCHEMBL13472204 0.75 KDM4E (0.57) SIGMAR1NPC1RAB9AALDH1A1

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