SCHEMBL30489542

SCHEMBL30489542

CC(C)(C)OC(=O)N[C@@H](CS)CNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.73
▸ CTRB1 P17538 2/20 0.60
▸ ATM Q13315 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ CTSS P25774 5/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ CTSK P43235 4/20 0.46
▸ CTSL P07711 3/20 0.46
▸ CTSB P07858 2/20 0.46
▸ APP P05067 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PPARG P37231 1/20 0.44

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
SCHEMBL30489676 1.00 SYK (0.73) SYKCTRB1ATMMAPTCTSS
SCHEMBL28668267 0.89 SYK (0.74) SYKCTRB1ATMMAPTCTSS
SCHEMBL30489620 0.89 SYK (0.74) SYKCTRB1ATMMAPTCTSS
SCHEMBL14497009 0.89 SYK (0.74) SYKCTRB1ATMMAPTCTSS
SCHEMBL975349 0.89 SYK (0.74) SYKCTRB1ATMMAPTCTSS
SCHEMBL6541785 0.89 SYK (0.74) SYKCTRB1ATMMAPTCTSS
SCHEMBL28663877 0.88 SYK (0.73) SYKCTRB1ATMMAPTCTSS
SCHEMBL27619888 0.88 SYK (0.73) SYKCTRB1ATMMAPTCTSS
SCHEMBL14497012 0.88 SYK (0.73) SYKCTRB1ATMMAPTCTSS
SCHEMBL30269165 0.87 SYK (0.71) SYKCTRB1ATMMAPTCTSS

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
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
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