SCHEMBL9166485

SCHEMBL9166485

Cc1nn(C(C)C)c(C(=O)O)c1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
APAF1 O14727 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9162158 0.84 LMNA (0.35) ALDH1A1MAPTKDM4E
SCHEMBL9161861 0.82 ALDH1A1 (0.31) ALDH1A1MAPTHTT
SCHEMBL9165974 0.81 MAPT (0.37) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL9157928 0.78 SMN1; SMN2 (0.37) MAPTHTTKMT2ATP53
SCHEMBL4360066 0.75 ALDH1A1 (0.39) ALDH1A1MAPTHTTKMT2AKDM4E
SCHEMBL25434879 0.74 KDM4E (0.41) ALDH1A1MAPTHTTKMT2AKDM4E
SCHEMBL31735452 0.74 GAA (0.40) ALDH1A1MAPTHTTKMT2AKDM4E
SCHEMBL22574804 0.69 MAPT (0.44) ALDH1A1MAPTHTT
SCHEMBL9164310 0.69 KDM4E (0.37) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL8271720 0.66 ALDH1A1 (0.47) ALDH1A1MAPTHTTKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 US disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 EP disclosed