SCHEMBL30099452

SCHEMBL30099452

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ REN P00797 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ NAA50 Q9GZZ1 1/20 0.38
▸ MMP3 P08254 3/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ NTSR1 P30989 2/20 0.36
▸ NTSR2 O95665 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ PSMB9 P28065 2/20 0.35
▸ CAPN1 P07384 2/20 0.35

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
SCHEMBL30099417 0.95 REN (0.41) KMT2ARENAPLNRNAA50MMP3
SCHEMBL29407478 0.92 REN (0.44) KMT2ARENAPLNRNAA50MMP3
SCHEMBL30483724 0.88 REN (0.44) KMT2ARENAPLNRNAA50MMP3
SCHEMBL30099624 0.87 REN (0.42) KMT2ARENAPLNRNAA50MMP3
SCHEMBL29945583 0.87 REN (0.42) KMT2ARENAPLNRNAA50MMP3
SCHEMBL31670640 0.87 XIAP (0.38) RENAPLNRMMP3FAP
SCHEMBL30627047 0.87 ACE (0.38) KMT2ARENFAP
SCHEMBL29888963 0.85 MMP3 (0.44) KMT2ARENAPLNRMMP3MMP1
SCHEMBL30468684 0.83 APLNR (0.43) KMT2ARENAPLNRNAA50MMP3
SCHEMBL31419720 0.83 APLNR (0.44) KMT2ARENAPLNRNAA50MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US claimed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO disclosed
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