Sugi Predict

Sugi Predict / Compounds / SCHEMBL31255218

SCHEMBL31255218

SCHEMBL31255218

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.57
▸ GLP1R P43220 7/20 0.56
▸ RAMP3 O60896 5/20 0.55
▸ CALCR P30988 5/20 0.55
▸ GCGR P47871 3/20 0.55
▸ CXCR4 P61073 1/20 0.54
▸ TFPI P10646 1/20 0.54
▸ KEAP1 Q14145 1/20 0.54

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
SCHEMBL30567243 0.88 APLNR (0.58) APLNRRAMP3CALCR
SCHEMBL30262143 0.88 RAMP3 (0.56) GLP1RRAMP3CALCRGCGR
SCHEMBL30658338 0.88 CALCR (0.63) GLP1RCALCRKEAP1
SCHEMBL30176479 0.87 MAPK8 (0.57) GLP1RRAMP3CALCRGCGRKEAP1
SCHEMBL30495633 0.87 CALCR (0.62) CALCRTFPIKEAP1
SCHEMBL31182744 0.87 NPY2R (0.67) GLP1RRAMP3CALCRGCGRTFPI
SCHEMBL29939229 0.87 CALCR (0.61) RAMP3CALCRTFPI
SCHEMBL30432558 0.87 TFPI (0.61) GLP1RCALCRGCGRTFPI
SCHEMBL30887977 0.86 CALCR (0.64) GLP1RCALCRCXCR4TFPIKEAP1
SCHEMBL29827447 0.86 KEAP1 (0.62) RAMP3CALCRTFPIKEAP1

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-118773141-A Hybridoma cell strain for producing thymidine kinase 1 (TK 1) monoclonal antibody, antibody and colloidal gold test strip and application thereof 江南大学 2024-10-15 — — CN disclosed
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