SCHEMBL30617122

SCHEMBL30617122

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 8/20 0.61
▸ IL23R Q5VWK5 5/20 0.61
▸ KEAP1 Q14145 2/20 0.60
▸ GLP1R P43220 2/20 0.60
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ GHSR Q92847 3/20 0.60
▸ NPY2R P49146 2/20 0.60
▸ CCKBR P32239 1/20 0.57

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
SCHEMBL29429587 0.97 PTH1R (0.64) PTH1RIL23RKEAP1GLP1RGCGR
SCHEMBL29350300 0.97 PTH1R (0.64) PTH1RIL23RKEAP1GLP1RGCGR
SCHEMBL30617091 0.94 IL23R (0.64) PTH1RIL23RKEAP1GLP1RGCGR
Penetratin SCHEMBL29356568 0.94 PTH1R (0.66) PTH1RIL23RKEAP1GHSRNPY2R
SCHEMBL30002139 0.93 PTH1R (0.63) PTH1RIL23RKEAP1GLP1RGCGR
SCHEMBL30299196 0.92 PTH1R (0.67) PTH1RIL23RKEAP1GLP1RGHSR
SCHEMBL30617103 0.92 IL23R (0.67) PTH1RIL23RKEAP1GLP1RGCGR
SCHEMBL29555404 0.92 GLP1R (0.62) PTH1RIL23RGLP1RGCGRGIPR
SCHEMBL29710643 0.92 PTH1R (0.65) PTH1RIL23RKEAP1GHSRNPY2R
SCHEMBL29555515 0.91 GHSR (0.64) IL23RGLP1RGCGRGIPRGHSR

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-114106094-B Polypeptide, polypeptide derivative and nanofiber capable of inducing odontoblast differentiation and mineralization of human dental pulp cells and application of polypeptide and polypeptide derivative and nanofiber 天津市口腔医院(天津市整形外科医院、南开大学口腔医院) 2023-11-03 — — CN disclosed
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