SCHEMBL30401382

SCHEMBL30401382

CSCC[C@H](NCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 6/20 0.54
▸ FNTB P49356 6/20 0.54
▸ TLR2 O60603 2/20 0.52
▸ PGGT1B P53609 2/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ BACE1 P56817 5/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL30401967 0.94 TLR2 (0.52) FNTAFNTBTLR2PGGT1BLTA4H
SCHEMBL30149850 0.89 ALDH1A1 (0.50) FNTAFNTBBACE1BACE2
SCHEMBL30408032 0.89 FNTA (0.51) FNTAFNTBPGGT1BLTA4HBACE1
SCHEMBL30407793 0.88 FNTA (0.50) FNTAFNTBTLR2PGGT1BBACE1
SCHEMBL30402933 0.87 TLR2 (0.53) FNTAFNTBTLR2PGGT1BLTA4H
SCHEMBL30402768 0.85 FNTA (0.56) FNTAFNTBPGGT1BLTA4HBACE1
SCHEMBL30916749 0.83 BACE1 (0.55) FNTAFNTBPGGT1BBACE1BACE2
SCHEMBL30495535 0.80 FNTA (0.51) FNTAFNTBPGGT1BBACE1
SCHEMBL31067326 0.80 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL29525963 0.80 FNTA (0.50) FNTAFNTBPGGT1B

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-116077686-A Enzyme-cleavable Linker and application thereof 苏州智核生物医药科技有限公司 2023-05-09 — — CN disclosed
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