SCHEMBL7429450

SCHEMBL7429450

CC(C)CC(NCC(C(=O)O)c1cncn1Cc1ccc(I)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.46
ACE P12821 3/20 0.46
FPR2 P25090 1/20 0.41
CYP11B1 P15538 8/20 0.36
CYP11B2 P19099 8/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
FOLH1 Q04609 2/20 0.35
GRN P28799 3/20 0.34
SORT1 Q99523 3/20 0.34

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
SCHEMBL3715183 0.91 ACE2 (0.47) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL3680172 0.91 ACE2 (0.52) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL7391523 0.90 ACE2 (0.48) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL7382601 0.90 CYP11B1 (0.47) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL3710373 0.88 ACE2 (0.43) ACE2ACEFPR2CYP11B1CYP11B2
SCHEMBL3712513 0.88 ACE2 (0.45) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL3712455 0.87 MAPT (0.47) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1661114 0.87 ACE2 (0.44) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1655466 0.87 ACE2 (0.48) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1658173 0.87 CYP11B1 (0.50) ACE2ACECYP11B1CYP11B2

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