SCHEMBL7430645

SCHEMBL7430645

CC(C)CC(NCC(C(=O)O)c1cccc(Cc2cc(Cl)cc(Cl)c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.44
SORT1 Q99523 4/20 0.44
MAPK1 P28482 1/20 0.42
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ACE2 Q9BYF1 4/20 0.39
ACE P12821 3/20 0.39
LTA4H P09960 1/20 0.38
MME P08473 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
SCHEMBL7419986 0.94 MAPK1 (0.48) GRNSORT1MAPK1FOLH1ALDH1A1
SCHEMBL7426737 0.90 MAPK1 (0.41) GRNSORT1MAPK1
SCHEMBL7419023 0.88 GRN (0.47) GRNSORT1MAPK1FOLH1ALDH1A1
SCHEMBL7422599 0.85 GRN (0.47) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7424536 0.83 MAPK1 (0.42) GRNSORT1MAPK1ACE2ACE
SCHEMBL7421897 0.81 NR4A2 (0.49) MAPK1
SCHEMBL7419482 0.78 GRN (0.49) GRNSORT1MAPK1FOLH1ALDH1A1
SCHEMBL7378949 0.78 MME (0.50) FOLH1ALDH1A1LMNALTA4HMME
SCHEMBL7424624 0.77 GRN (0.44) GRNSORT1MAPK1ALDH1A1
SCHEMBL5869853 0.77 ACE2 (0.53) GRNSORT1MAPK1FOLH1ALDH1A1

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