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Sugi Predict / Compounds / SCHEMBL31496391

SCHEMBL31496391

SCHEMBL31496391

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.49
▸ APLNR P35414 1/20 0.46
▸ GLP1R P43220 4/20 0.44
▸ SCTR P47872 1/20 0.44
▸ IL23R Q5VWK5 4/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NPY1R P25929 2/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ NPY4R P50391 2/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ TFPI P10646 1/20 0.40

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
SCHEMBL29736307 0.91 C5AR1 (0.52) C5AR1GLP1RSCTRKEAP1
SCHEMBL17887955 0.90 C5AR1 (0.47) C5AR1APLNRGLP1RSCTRKEAP1
SCHEMBL29754562 0.89 C5AR1 (0.45) C5AR1APLNRGLP1RSCTRIL23R
SCHEMBL29939588 0.88 C5AR1 (0.49) C5AR1APLNRGLP1RSCTRIL23R
SCHEMBL29836426 0.87 PTH1R (0.53) GLP1RTFPI
SCHEMBL30706289 0.87 GLP1R (0.43) C5AR1APLNRGLP1RSCTRKEAP1
SCHEMBL30823264 0.86 APLNR (0.50) C5AR1APLNRGLP1RSCTRKEAP1
SCHEMBL29599778 0.85 CALCR (0.43) C5AR1GLP1RSCTR
SCHEMBL30513903 0.84 APLNR (0.41) C5AR1APLNRNPY1RNPY2RNPY4R
SCHEMBL31182859 0.84 KEAP1 (0.56) GLP1RKEAP1

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-119656058-A Application of blue crab dodecapeptide in preparation of skin soothing composition 厦门大学 2025-03-21 — — CN disclosed
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