SCHEMBL30556367

SCHEMBL30556367

N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.40
PTGS1 P23219 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.33
ACE P12821 1/20 0.33
ECE1 P42892 1/20 0.33

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
SCHEMBL29701328 0.96 MME (0.40) MMEACE
SCHEMBL29912036 0.96 MME (0.40) MMEACE
SCHEMBL29461611 0.94 BACE1 (0.39) MMEACEECE1
SCHEMBL30668193 0.93 MME (0.36) MME
SCHEMBL3080050 0.93 MME (0.37) MME
SCHEMBL3080046 0.93 MME (0.37) MME
SCHEMBL30277334 0.92 FNTA (0.38) MME
SCHEMBL31310661 0.92 MME (0.38) MME
SCHEMBL29738491 0.92 MME (0.36) MMEACEECE1
SCHEMBL30477909 0.91 MME (0.37) MME

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-20250027955-A1 ETHYLENE RECEPTORS AND BINDING DOMAINS WITH MODIFIED BINDING KINETICS FOR ETHYLENE TRUSTEES OF DARTMOUTH COLLEGE (US) 2025-01-23 US disclosed
WO-2024012487-A1 BIOSENSOR COMPRISING A MODIFIED BETA-LACTAMASE AND USES THEREOF THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2024-01-18 WO disclosed
WO-2023196371-A1 ETHYLENE RECEPTORS AND BINDING DOMAINS WITH MODIFIED BINDING KINETICS FOR ETHYLENE TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-10-12 WO disclosed