SCHEMBL7424864

SCHEMBL7424864

CC(C)CC(NCC(C(=O)O)c1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.54
ACE P12821 3/20 0.54
GRN P28799 3/20 0.36
SORT1 Q99523 3/20 0.36
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
NPR3 P17342 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7531333 0.89 ACE2 (0.55) ACE2ACEGRNSORT1KMT2A
SCHEMBL1655474 0.89 ACE2 (0.64) ACE2ACEGRNSORT1CYP11B1
SCHEMBL3704484 0.89 ACE2 (0.64) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7384416 0.86 ACE2 (0.52) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7424805 0.81 ACE2 (0.54) ACE2ACEGRNSORT1MAPT
SCHEMBL7421732 0.81 ACE2 (0.54) ACE2ACEGRNSORT1CYP11B1
SCHEMBL5869894 0.80 ACE2 (0.81) ACE2ACEGRNSORT1MAPT
SCHEMBL5869891 0.80 ACE2 (0.81) ACE2ACEGRNSORT1MAPT
SCHEMBL5870288 0.80 ACE2 (0.81) ACE2ACEGRNSORT1MAPT
SCHEMBL3680172 0.80 ACE2 (0.52) ACE2ACEGRNSORT1CYP11B1

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