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Sugi Predict / Compounds / SCHEMBL30617103

SCHEMBL30617103

SCHEMBL30617103

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](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 9/20 0.67
▸ PTH1R Q03431 7/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.61
▸ GLP1R P43220 2/20 0.61
▸ CCKBR P32239 1/20 0.61
▸ KEAP1 Q14145 1/20 0.61
▸ GCGR P47871 1/20 0.61
▸ GIPR P48546 1/20 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
SCHEMBL30617091 0.97 IL23R (0.64) IL23RPTH1RRXFP1GLP1RCCKBR
SCHEMBL31683774 0.92 IL23R (0.60) IL23RPTH1RRXFP1GLP1RCCKBR
SCHEMBL30617122 0.92 PTH1R (0.61) IL23RPTH1RGLP1RCCKBRKEAP1
SCHEMBL30716104 0.92 IL23R (0.70) IL23R
SCHEMBL30432095 0.90 IL23R (0.63) IL23RPTH1RRXFP1GLP1RGCGR
SCHEMBL30404098 0.90 PTH1R (0.72) IL23RPTH1RGLP1RCCKBRKEAP1
SCHEMBL29350300 0.90 PTH1R (0.64) IL23RPTH1RRXFP1GLP1RCCKBR
SCHEMBL29429587 0.90 PTH1R (0.64) IL23RPTH1RRXFP1GLP1RCCKBR
SCHEMBL31694512 0.89 PTH1R (0.71) IL23RPTH1RRXFP1GLP1RCCKBR
SCHEMBL31694503 0.89 PTH1R (0.72) IL23RPTH1RRXFP1GLP1RCCKBR

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-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 claimed
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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