SCHEMBL30028210

SCHEMBL30028210

CC(C)(C)OC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.39
▸ GRB2 P62993 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CMA1 P23946 3/20 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
SCHEMBL29468849 0.87 REN (0.45) RENGRB2
SCHEMBL30972553 0.83 KMT2A (0.42) KMT2AMEN1CMA1
SCHEMBL31197909 0.83 GRB2 (0.45) GRB2KMT2AITGB3ITGA2BCMA1
SCHEMBL29468837 0.82 KMT2A (0.41) GRB2KMT2AMEN1CMA1
SCHEMBL31197912 0.80 GRB2 (0.44) GRB2ITGB3ITGA2BCMA1
SCHEMBL31337813 0.79 GRB2 (0.44) GRB2ITGB3ITGA2BCMA1
SCHEMBL30392291 0.78 ADAM17 (0.42) KMT2AITGB3ITGA2BMEN1
SCHEMBL28758609 0.77 REN (0.44) RENGRB2
SCHEMBL29962469 0.76 REN (0.44) REN
SCHEMBL29669249 0.76 REN (0.45) RENGRB2

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-113173987-B Method for synthesizing linatide 汉肽生物医药集团有限公司 2022-11-29 — — CN claimed
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