SCHEMBL7424962

SCHEMBL7424962

CC(C)CC(NCC(C(=O)O)c1ccccc1-c1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.47
SORT1 Q99523 4/20 0.47
MAPK1 P28482 1/20 0.42
APP P05067 1/20 0.40
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.38
MME P08473 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37

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
SCHEMBL7422452 0.82 GRN (0.44) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7422599 0.81 GRN (0.47) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7419482 0.81 GRN (0.49) GRNSORT1MAPK1APPALDH1A1
SCHEMBL7427316 0.78 SORT1 (0.46) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7378949 0.76 MME (0.50) ALDH1A1LMNALTA4HMME
SCHEMBL5870126 0.75 GRN (0.50) GRNSORT1MAPK1APPALDH1A1
SCHEMBL5869922 0.75 GRN (0.50) GRNSORT1MAPK1APPALDH1A1
SCHEMBL7423313 0.75 CNR2 (0.42) GRNSORT1MME
SCHEMBL7421370 0.75 MME (0.41) LTA4HMME
SCHEMBL7427491 0.75 ENPP2 (0.45) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed