SCHEMBL28539679

SCHEMBL28539679

CCC(C)C(NC(=O)C(NC(=O)C(C)NC(=O)CC(C)O)C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.41
▸ CTSD P07339 4/20 0.41
▸ REN P00797 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PRSS1 P07477 2/20 0.39
▸ GLP1R P43220 1/20 0.38

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
SCHEMBL28539678 1.00 FURIN (0.41) FURINCTSDRENRXFP1PRSS1
SCHEMBL28545636 0.95 RXFP1 (0.40) FURINRXFP1GLP1R
SCHEMBL28545639 0.95 RXFP1 (0.40) FURINRXFP1GLP1R
SCHEMBL28542712 0.90 RXFP1 (0.46) RXFP1GLP1R
SCHEMBL28542714 0.90 RXFP1 (0.46) RXFP1GLP1R
SCHEMBL30456526 0.87 FURIN (0.46) FURINCTSDRENRXFP1PRSS1
SCHEMBL21261497 0.85 FURIN (0.40) FURINPRSS1
SCHEMBL28220324 0.84 NMT2 (0.45) FURINPRSS1
SCHEMBL28220243 0.84 FURIN (0.44) FURINRXFP1PRSS1GLP1R
SCHEMBL21261733 0.82 FURIN (0.40) FURINRXFP1PRSS1

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
CN-108017555-B Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof 郑州海斯威生物技术有限公司 2021-03-26 — — CN disclosed
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