SCHEMBL8838795

SCHEMBL8838795

CC(C)(C)c1ccc(CCC(=O)CC2CCCCCC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
CCR5 P51681 2/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
EPHX2 P34913 1/20 0.34
MAOB P27338 1/20 0.34
IAPP P10997 1/20 0.33
GAA P10253 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
SCHEMBL8114129 0.93 AAK1 (0.36) MEN1KMT2AAAK1ERCC1ERCC4
SCHEMBL8110363 0.92 SPHK1 (0.36) MEN1KMT2AAAK1ERCC1ERCC4
SCHEMBL8119964 0.90 CCR5 (0.39) MEN1KMT2ACCR5RAB9ASMN1; SMN2
SCHEMBL8115448 0.90 CCR5 (0.39) MEN1KMT2ACCR5RAB9ASMN1; SMN2
SCHEMBL8124172 0.82 ANO1 (0.38) MEN1KMT2ACCR5ANO1RAB9A
SCHEMBL8119961 0.82 ANO1 (0.40) MEN1KMT2AANO1RAB9ASMN1; SMN2
SCHEMBL8116754 0.82 SPHK1 (0.38) MEN1KMT2ANPC1GAA
SCHEMBL8838504 0.81 ALDH1A1 (0.38) MEN1KMT2ACCR5POLBSMN1; SMN2
SCHEMBL8122289 0.81 NPC1 (0.40) MEN1KMT2AANO1RAB9ASMN1; SMN2
SCHEMBL8118247 0.80 ANO1 (0.39) MEN1KMT2AANO1RAB9ANPC1

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-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