SCHEMBL8129652

SCHEMBL8129652

CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HCAR3 P49019 2/20 0.47
CHEK1 O14757 1/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
ERN1 O75460 2/20 0.46
TSHR P16473 1/20 0.43
CASP6 P55212 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 1/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41

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
SCHEMBL5913948 0.87 ALDH1A1 (0.52) ALDH1A1LMNAHCAR3KMT2AHTT
SCHEMBL12326836 0.83 MAPT (0.51) ALDH1A1LMNAHCAR3CHEK1KMT2A
SCHEMBL3855174 0.83 CASP6 (0.64) LMNAHCAR3KMT2ATSHRCASP6
SCHEMBL3847201 0.81 PARP1 (0.59) ALDH1A1LMNACHEK1KMT2AHTT
SCHEMBL16960436 0.81 CHEK1 (0.47) ALDH1A1LMNAHCAR3CHEK1KMT2A
SCHEMBL5914014 0.80 TSHR (0.68) ALDH1A1LMNAHCAR3KMT2AHTT
SCHEMBL8129502 0.79 VCAM1 (0.63) ALDH1A1LMNACHEK1KMT2AERN1
SCHEMBL8149078 0.79 CHEK1 (0.55) ALDH1A1LMNAHCAR3CHEK1KMT2A
SCHEMBL22115119 0.78 LMNA (0.66) ALDH1A1LMNAHCAR3KMT2AHTT
SCHEMBL31272847 0.78 VCAM1 (0.68) ALDH1A1LMNAKMT2AHSP90AA1MEN1

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-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
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 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