SCHEMBL30401967

SCHEMBL30401967

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.52
▸ FNTA P49354 5/20 0.50
▸ FNTB P49356 5/20 0.50
▸ PGGT1B P53609 4/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ LTA4H P09960 1/20 0.47
▸ BACE1 P56817 1/20 0.47

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
SCHEMBL30401382 0.94 FNTA (0.54) TLR2FNTAFNTBPGGT1BLTA4H
SCHEMBL30149850 0.89 ALDH1A1 (0.50) FNTAFNTBANPEPBACE1
SCHEMBL30402933 0.85 TLR2 (0.53) TLR2FNTAFNTBPGGT1BANPEP
SCHEMBL30407793 0.84 FNTA (0.50) TLR2FNTAFNTBPGGT1BBACE1
SCHEMBL30408032 0.83 FNTA (0.51) FNTAFNTBPGGT1BANPEPLTA4H
SCHEMBL30402768 0.81 FNTA (0.56) FNTAFNTBPGGT1BANPEPLTA4H
SCHEMBL30916749 0.81 BACE1 (0.55) FNTAFNTBPGGT1BBACE1
SCHEMBL6534903 0.80 ECE1 (0.58) TLR2FNTAFNTBANPEP
SCHEMBL31741305 0.79 BACE1 (0.51) FNTAFNTBLTA4HBACE1
SCHEMBL9074890 0.78 FNTA (0.50) FNTAFNTBPGGT1BLTA4HBACE1

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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