SCHEMBL30099643

SCHEMBL30099643

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.44
TGFBR1 P36897 3/20 0.42
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
NOD1 Q9Y239 1/20 0.39
BACE1 P56817 2/20 0.39
PAX8 Q06710 1/20 0.38
ECE1 P42892 1/20 0.37
ENPEP Q07075 1/20 0.37

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
SCHEMBL29584346 0.97 MME (0.46) MMETGFBR1FNTAFNTBNOD1
SCHEMBL29702429 0.91 MME (0.50) MMEFNTAFNTBBACE1
SCHEMBL30454924 0.91 MME (0.47) MMEFNTAFNTBBACE1
SCHEMBL29371327 0.91 MME (0.50) MMEENPEP
SCHEMBL29930416 0.90 MME (0.40) MMETGFBR1NOD1PAX8ECE1
SCHEMBL30552905 0.90 MME (0.51) MMETGFBR1NOD1PAX8ECE1
SCHEMBL30452082 0.90 MME (0.51) MMETGFBR1NOD1PAX8ECE1
SCHEMBL30056618 0.89 NOD1 (0.45) NOD1BACE1ENPEP
SCHEMBL30906339 0.87 MME (0.41) MMETGFBR1FNTAFNTBBACE1
SCHEMBL7123863 0.87 MME (0.54) MMETGFBR1NOD1PAX8ECE1

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
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 WO disclosed