SCHEMBL30099514

SCHEMBL30099514

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.68
▸ ECE1 P42892 7/20 0.66
▸ ACE P12821 2/20 0.62
▸ IL1RN P18510 7/20 0.62
▸ ERAP1 Q9NZ08 4/20 0.62
▸ CTSC P53634 1/20 0.59

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
SCHEMBL29993325 0.96 ERAP2 (0.65) ERAP2ECE1ACEIL1RNERAP1
SCHEMBL30051522 0.96 ERAP2 (0.72) ERAP2ECE1ACEIL1RNERAP1
SCHEMBL30052756 0.92 ECE1 (0.68) ERAP2ECE1ACEIL1RNERAP1
SCHEMBL31502300 0.92 ECE1 (0.68) ERAP2ECE1ACEIL1RNERAP1
SCHEMBL30821831 0.92 ECE1 (0.68) ERAP2ECE1ACEIL1RNERAP1
SCHEMBL30931483 0.91 ERAP2 (0.66) ERAP2ECE1ACEIL1RNERAP1
SCHEMBL30051305 0.90 ACE (0.72) ERAP2ECE1ACECTSC
Valyltryptophan SCHEMBL30821963 0.90 ACE (0.75) ECE1ACECTSC
Valyltryptophan SCHEMBL150532 0.90 ACE (0.75) ECE1ACECTSC
Valyltryptophan SCHEMBL30821897 0.90 ACE (0.75) ECE1ACECTSC

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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