SCHEMBL11206129

SCHEMBL11206129

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(CCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.63
ACE P12821 3/20 0.54
MMP2 P08253 2/20 0.54
MMP3 P08254 2/20 0.54
LTA4H P09960 1/20 0.54
MMP7 P09237 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
CPA1 P15085 2/20 0.53
ACE2 Q9BYF1 2/20 0.53

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
SCHEMBL9069255 0.91 MME (0.71) MMEACEMMP2LTA4HMMP7
SCHEMBL10947100 0.87 MME (0.65) MMEACELTA4HCPA1ACE2
SCHEMBL11205478 0.87 BIRC2 (0.59)
SCHEMBL8249153 0.87 MME (0.62) MMEACEMMP3LTA4HMMP9
SCHEMBL5869766 0.87 MME (0.62) MMEACEMMP3LTA4HMMP9
SCHEMBL8248719 0.87 MME (0.62) MMEACEMMP3LTA4HMMP9
SCHEMBL8248581 0.87 MME (0.62) MMEACEMMP3LTA4HMMP9
SCHEMBL8248814 0.87 MME (0.62) MMEACEMMP3LTA4HMMP9
SCHEMBL7374357 0.85 MME (0.67) MMEACEMMP2MMP7MMP9
SCHEMBL17948648 0.85 CPA1 (0.63) MMEACEMMP2MMP7MMP9

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
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 EP claimed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 EP disclosed