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Sugi Predict / Compounds / SCHEMBL30137653

SCHEMBL30137653

SCHEMBL30137653

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 6/20 0.69
▸ F2 P00734 4/20 0.62
▸ EPHA2 P29317 2/20 0.61
▸ KDM1A O60341 1/20 0.61
▸ NMUR2 Q9GZQ4 2/20 0.61
▸ NMUR1 Q9HB89 2/20 0.61

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
SCHEMBL29980254 0.90 KDM1A (0.63) TFPIEPHA2KDM1ANMUR2NMUR1
SCHEMBL29434542 0.89 TFPI (0.68) TFPIKDM1ANMUR2NMUR1
SCHEMBL31072603 0.88 TFPI (0.72) TFPIKDM1ANMUR2NMUR1
SCHEMBL30883233 0.88 NMUR2 (0.68) TFPIF2NMUR2NMUR1
SCHEMBL29599885 0.87 TFPI (0.68) TFPIKDM1A
SCHEMBL8780541 0.87 OPRD1 (0.58) TFPIEPHA2NMUR2NMUR1
SCHEMBL30432021 0.87 NPY2R (0.68) TFPI
SCHEMBL8780556 0.86 NTSR1 (0.59) TFPIEPHA2NMUR2NMUR1
SCHEMBL8780544 0.86 NTSR1 (0.59) TFPIEPHA2NMUR2NMUR1
SCHEMBL31020752 0.86 NPY2R (0.64) TFPINMUR2NMUR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477690-B Affinity peptide of target FGFR4 and application thereof 中国药科大学 2025-01-03 — — CN claimed
CN-115477690-A FGFR 4-targeted affinity peptide and application thereof 中国药科大学 2022-12-16 — — CN claimed
CN-115477690-B Affinity peptide of target FGFR4 and application thereof 中国药科大学 2025-01-03 — — CN disclosed
CN-115477690-A FGFR 4-targeted affinity peptide and application thereof 中国药科大学 2022-12-16 — — CN disclosed
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