SCHEMBL8116754

SCHEMBL8116754

CC(C)(C)c1ccc(CCCCC(=O)CCC2CCCCCC2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.38
ACHE P22303 4/20 0.35
HTR4 Q13639 4/20 0.35
CNR2 P34972 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BDKRB2 P30411 1/20 0.35
EPHX1 P07099 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL8119964 0.92 CCR5 (0.39) ACHEHTR4MEN1KMT2ANPC1
SCHEMBL8115448 0.92 CCR5 (0.39) ACHEHTR4MEN1KMT2ANPC1
SCHEMBL8110363 0.91 SPHK1 (0.36) SPHK1NMT2NMT1MEN1KMT2A
SCHEMBL8114129 0.87 AAK1 (0.36) SPHK1MEN1KMT2ABDKRB2NPC1
SCHEMBL8119961 0.87 ANO1 (0.40) ACHEHTR4ALDH1A1MEN1KMT2A
SCHEMBL8118247 0.86 ANO1 (0.39) SPHK1MEN1KMT2ANPC1
SCHEMBL8122289 0.85 NPC1 (0.40) SPHK1ACHEHTR4ALDH1A1MEN1
SCHEMBL8838795 0.82 MEN1 (0.39) MEN1KMT2ANPC1GAA
SCHEMBL8124172 0.77 ANO1 (0.38) ACHEALDH1A1MEN1KMT2AGAA
SCHEMBL8115980 0.74 MAPT (0.38) ALDH1A1MEN1KMT2AGAA

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