SCHEMBL5870394

SCHEMBL5870394

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
MMP3 P08254 1/20 0.35
ACE2 Q9BYF1 4/20 0.34
ACE P12821 3/20 0.34
GRN P28799 3/20 0.33
SORT1 Q99523 3/20 0.33
MME P08473 1/20 0.33
FOLH1 Q04609 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AKR1B1 P15121 2/20 0.32

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
SCHEMBL8249119 0.88 ACE2 (0.41) ACE2ACEGRNSORT1MME
SCHEMBL5870160 0.88 ACE2 (0.41) ACE2ACEGRNSORT1MME
SCHEMBL8248643 0.88 ACE2 (0.41) ACE2ACEGRNSORT1MME
SCHEMBL7228586 0.83 ACE2 (0.36) MMP1ACE2ACEGRNSORT1
SCHEMBL8249271 0.83 ACE2 (0.36) MMP1ACE2ACEGRNSORT1
SCHEMBL5870081 0.82 ELANE (0.38) ACE2ACEGRNSORT1MME
SCHEMBL7326854 0.82 MME (0.44) GRNSORT1MMEFOLH1ALDH1A1
SCHEMBL8249163 0.82 ELANE (0.38) ACE2ACEGRNSORT1MME
SCHEMBL30628183 0.80 GRN (0.39) MMP9GRNSORT1MMEFOLH1
SCHEMBL8249052 0.80 MME (0.36) MMP1MMP9MMP3ACE2ACE

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 3 patents. 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 claimed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
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