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SCHEMBL30744924

SCHEMBL30744924

C[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 13/20 0.37
▸ BDKRB1 P46663 6/20 0.37
▸ VHL P40337 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL30744896 0.89 FAP (0.35) BDKRB2BDKRB1VHLFAP
SCHEMBL30744981 0.89 FAP (0.35) BDKRB2BDKRB1VHLFAP
SCHEMBL30231891 0.88 VHL (0.38) BDKRB2BDKRB1VHL
SCHEMBL30232060 0.88 VHL (0.38) BDKRB2BDKRB1VHL
SCHEMBL29935655 0.88 ITGB3 (0.44) BDKRB2BDKRB1FAP
SCHEMBL29935662 0.88 ITGB3 (0.44) BDKRB2BDKRB1FAP
SCHEMBL29795307 0.86 VHL (0.40) BDKRB2BDKRB1VHL
SCHEMBL30231930 0.84 VHL (0.39) BDKRB2BDKRB1VHL
SCHEMBL30697837 0.83 CHRM3 (0.41) VHL
SCHEMBL30464314 0.83 CHRM3 (0.41) VHL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117503679-A Stem cell composition and kit for cosmetic treatment 澳大利亚健康产业有限公司 2024-02-06 — — CN claimed
CN-117503679-A Stem cell composition and kit for cosmetic treatment 澳大利亚健康产业有限公司 2024-02-06 — — CN disclosed
CN-117503679-A Stem cell composition and kit for cosmetic treatment 澳大利亚健康产业有限公司 2024-02-06 — — CN disclosed
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