SCHEMBL7228586

SCHEMBL7228586

CC(C)CC(NC(Cc1c[nH]cn1)C(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.36
ACE P12821 3/20 0.36
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
MME P08473 1/20 0.35
LTA4H P09960 1/20 0.35
CPB2 Q96IY4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LAP3 P28838 2/20 0.35
FOLH1 Q04609 1/20 0.34
MMP1 P03956 1/20 0.34
FCER2 P06734 1/20 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
SCHEMBL8249271 1.00 ACE2 (0.36) ACE2ACEGRNSORT1MME
SCHEMBL5870160 0.92 ACE2 (0.41) ACE2ACEGRNSORT1MME
SCHEMBL8248643 0.92 ACE2 (0.41) ACE2ACEGRNSORT1MME
SCHEMBL8249119 0.92 ACE2 (0.41) ACE2ACEGRNSORT1MME
SCHEMBL7326854 0.86 MME (0.44) GRNSORT1MMEALDH1A1FOLH1
SCHEMBL5870081 0.86 ELANE (0.38) ACE2ACEGRNSORT1MME
SCHEMBL8249163 0.86 ELANE (0.38) ACE2ACEGRNSORT1MME
SCHEMBL30628183 0.84 GRN (0.39) GRNSORT1MMELTA4HCPB2
SCHEMBL8249052 0.83 MME (0.36) ACE2ACEGRNSORT1MME
SCHEMBL5870394 0.83 MMP1 (0.35) ACE2ACEGRNSORT1MME

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
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed