SCHEMBL30956691

SCHEMBL30956691

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 12/20 0.41
▸ FNTB P49356 12/20 0.41
▸ PGGT1B P53609 3/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL29637832 0.89 FNTA (0.40) FNTAFNTBPGGT1BBACE1CYP2C9
SCHEMBL30051883 0.82 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL27204371 0.80 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL27164812 0.80 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL30051686 0.80 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL29447806 0.80 MME (0.44) —
SCHEMBL30139885 0.79 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL30052069 0.78 TSHR (0.44) FNTAFNTBPGGT1B
SCHEMBL29584346 0.78 MME (0.46) FNTAFNTBBACE1
SCHEMBL29412260 0.78 FNTA (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290520-A Polypeptide specifically combined with triple negative breast cancer cells and application thereof 贵州医科大学 2024-07-05 — — CN disclosed
CN-118290520-A Polypeptide specifically combined with triple negative breast cancer cells and application thereof 贵州医科大学 2024-07-05 — — CN disclosed
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