SCHEMBL8114129

SCHEMBL8114129

CC(C)(C)c1ccc(CCCC(=O)CC2CCCCC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
SPHK1 Q9NYA1 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
RAB9A P51151 2/20 0.33
EPHX2 P34913 2/20 0.33
BDKRB2 P30411 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL8110363 0.97 SPHK1 (0.36) AAK1MEN1KMT2AERCC1ERCC4
SCHEMBL8838795 0.93 MEN1 (0.39) AAK1MEN1KMT2AERCC1ERCC4
SCHEMBL8116754 0.87 SPHK1 (0.38) MEN1KMT2ASPHK1BDKRB2NPC1
SCHEMBL8115448 0.83 CCR5 (0.39) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL8122289 0.83 NPC1 (0.40) MEN1KMT2ASPHK1ANO1RAB9A
SCHEMBL8119964 0.83 CCR5 (0.39) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL8118247 0.82 ANO1 (0.39) MEN1KMT2ACYP3A4SPHK1ANO1
SCHEMBL8122227 0.82 CXCR4 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8119961 0.81 ANO1 (0.40) MEN1KMT2AANO1RAB9ASMN1; SMN2
SCHEMBL8124172 0.78 ANO1 (0.38) MEN1KMT2AHPGDCYP2C19ANO1

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