SCHEMBL5870072

SCHEMBL5870072

CC(C)CC(NC(Cc1cccnc1)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 1/20 0.51
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
ACE2 Q9BYF1 4/20 0.47
ACE P12821 3/20 0.47
MME P08473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GPR132 Q9UNW8 1/20 0.46
FOLH1 Q04609 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
LMNA P02545 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
SCHEMBL8255224 1.00 TBXAS1 (0.51) TBXAS1MMP9MMP8MMP1MMP3
SCHEMBL13957293 0.87 TBXAS1 (0.55) TBXAS1MMP9MMP8KDM4EGPR132
SCHEMBL5869391 0.87 ACE2 (0.52) TBXAS1ACE2ACEMMEFOLH1
SCHEMBL5870206 0.87 ACE2 (0.52) TBXAS1ACE2ACEMMEFOLH1
SCHEMBL5870202 0.87 ACE2 (0.52) TBXAS1ACE2ACEMMEFOLH1
SCHEMBL5870163 0.86 GPR132 (0.64) GPR132
SCHEMBL7419505 0.86 GPR132 (0.64) GPR132
SCHEMBL5869845 0.86 GPR132 (0.64) GPR132
SCHEMBL5869326 0.84 MME (0.62) MMP9ACE2ACEMMEFOLH1
SCHEMBL8257978 0.84 MME (0.62) MMP9ACE2ACEMMEFOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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