SCHEMBL8133459

SCHEMBL8133459

CCCCCC(CC(=O)Nc1cc(C(=O)NC)ccc1C(C)(C)C)c1ccc(OCCCOC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
PLK1 P53350 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMPD1 P17405 4/20 0.35
LPAR1 Q92633 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
STK25 O00506 1/20 0.34
MAPT P10636 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
SCHEMBL8140437 0.95 HDAC1 (0.35) MAPK1PLK1HDAC1HDAC8HDAC6
SCHEMBL8135122 0.94 HDAC1 (0.40) MAPK1PLK1HDAC1HDAC8HDAC6
SCHEMBL8148216 0.93 LPAR1 (0.41) MAPK1PLK1HDAC1HDAC8HDAC6
SCHEMBL8129485 0.92 MAPK1 (0.38) MAPK1HDAC1HDAC8HDAC6SMPD1
SCHEMBL8134646 0.92 LPAR1 (0.40) MAPK1PLK1HDAC1HDAC8HDAC6
SCHEMBL8150195 0.92 MEN1 (0.34) MAPK1PLK1HDAC1HDAC8HDAC6
SCHEMBL8142291 0.92 HDAC1 (0.35) MAPK1HDAC1HDAC8HDAC6SMPD1
SCHEMBL8149894 0.91 MAPK1 (0.34) MAPK1PLK1HDAC1HDAC8HDAC6
SCHEMBL8148224 0.91 ALDH1A1 (0.38) MAPK1HDAC1HDAC8HDAC6SMPD1
SCHEMBL8133835 0.91 MAPK1 (0.40) MAPK1PLK1

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
EP-0763524-B1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO CO (JP) 2000-08-23 EP disclosed
US-6040339-A TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA OR ARTERIOSCLEROSIS IN A MAMMAL SANKYO COMPANY, LIMITED (JP) 2000-03-21 US disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed