SCHEMBL24180293

SCHEMBL24180293

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.43
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
BMP1 P13497 2/20 0.36
ENPEP Q07075 8/20 0.36
FDFT1 P37268 2/20 0.33
GNPAT O15228 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
SCHEMBL24180275 0.97 MME (0.41) MMECA2CA4BMP1ENPEP
SCHEMBL24180256 0.80 CA2 (0.35) MMECA2CA4ENPEPGNPAT
SCHEMBL23366203 0.75 ENPEP (0.40) MMEENPEPGNPAT
SCHEMBL23366206 0.75 ENPEP (0.40) MMEENPEPGNPAT
SCHEMBL24180308 0.73 MME (0.45) MMECA2CA4ENPEP
SCHEMBL24136500 0.73 ENPEP (0.44) ENPEP
SCHEMBL23366202 0.73 ENPEP (0.44) ENPEP
SCHEMBL23366193 0.73 ENPEP (0.44) ENPEP
SCHEMBL23366231 0.73 ENPEP (0.44) ENPEP
SCHEMBL15027040 0.73 ENPEP (0.44) ENPEP

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-3377487-B1 COMPOUNDS FOR MEDICINAL APPLICATIONS AusVir Therapeutics Pty Ltd (AU) 2022-01-12 EP disclosed