SCHEMBL7531333

SCHEMBL7531333

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.55
ACE P12821 3/20 0.55
GRN P28799 3/20 0.37
SORT1 Q99523 3/20 0.37
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
PPID Q08752 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL3704484 0.90 ACE2 (0.64) ACE2ACEGRNSORT1CYP11B1
SCHEMBL1655474 0.90 ACE2 (0.64) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7384416 0.89 ACE2 (0.52) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7424864 0.89 ACE2 (0.54) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7424805 0.84 ACE2 (0.54) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7421732 0.82 ACE2 (0.54) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7427935 0.82 ACE2 (0.66) ACE2ACEGRNSORT1CYP11B1
SCHEMBL3680172 0.81 ACE2 (0.52) ACE2ACEGRNSORT1CYP11B1
SCHEMBL7382791 0.81 ACE2 (0.49) ACE2ACEGRNSORT1CYP11B1
SCHEMBL3709303 0.81 ACE2 (0.52) ACE2ACECYP11B1CYP11B2KMT2A

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 disclosed