SCHEMBL29532187

SCHEMBL29532187

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.60
LTA4H P09960 1/20 0.57
MMP2 P08253 1/20 0.57
MMP7 P09237 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL31433322 0.96 MME (0.62) MMELTA4H
SCHEMBL29373701 0.93 BACE1 (0.59) MMEMMP2MMP7MMP9MMP12
SCHEMBL30735528 0.92 MME (0.57) MMEACECPA1ACE2
SCHEMBL31174325 0.92 MME (0.60) MMEACECPA1ACE2
SCHEMBL233444 0.92 MME (0.60) MMEACECPA1ACE2
SCHEMBL233445 0.92 MME (0.60) MMEACECPA1ACE2
SCHEMBL1864186 0.92 MME (0.60) MMEACECPA1ACE2
SCHEMBL29392023 0.91 MME (0.61) MMELTA4HMMP2MMP7MMP9
SCHEMBL30799773 0.91 MME (0.58) MMELTA4H
SCHEMBL30051542 0.88 MME (0.64) MMELTA4HMMP2MMP7MMP9

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-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 WO disclosed