SCHEMBL7425898

SCHEMBL7425898

CC(C)CC(N[C@@H](Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 7/20 0.52
ACE P12821 6/20 0.52
GPR34 Q9UPC5 4/20 0.50
GRN P28799 2/20 0.48
SORT1 Q99523 2/20 0.48
FOLH1 Q04609 1/20 0.47
MME P08473 3/20 0.47
CPA1 P15085 3/20 0.47
MAOB P27338 2/20 0.46
PPARG P37231 2/20 0.46
FFAR1 O14842 1/20 0.45

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
SCHEMBL5870263 1.00 ACE2 (0.52) ACE2ACEGPR34GRNSORT1
SCHEMBL5869463 1.00 ACE2 (0.52) ACE2ACEGPR34GRNSORT1
SCHEMBL22491211 0.89 CTSS (0.46) ACE2ACEGPR34FFAR1
SCHEMBL5869311 0.88 ACE2 (0.52) ACE2ACEGPR34GRNSORT1
SCHEMBL8250026 0.88 ACE2 (0.52) ACE2ACEGPR34GRNSORT1
SCHEMBL5870561 0.87 ALDH1A1 (0.49) ACE2ACEGPR34FOLH1MME
SCHEMBL5870179 0.87 ALDH1A1 (0.49) ACE2ACEGPR34FOLH1MME
SCHEMBL8249618 0.86 ACE2 (0.51) ACE2ACEGRNSORT1FOLH1
SCHEMBL5870524 0.86 ACE2 (0.51) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869752 0.86 PPARG (0.61) ACE2ACEGPR34MMECPA1

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