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Sugi Predict / Compounds / SCHEMBL29698518

SCHEMBL29698518

SCHEMBL29698518

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.62
▸ RAMP1 O60894 1/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ CALCR P30988 4/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL29903290 0.89 CALCRL (0.57) CALCRLRAMP1KEAP1CALCRSLC6A2
SCHEMBL31575697 0.87 CALCRL (0.63) CALCRLRAMP1KEAP1MAPK8MAPK9
SCHEMBL30824279 0.87 CALCR (0.55) CALCRLCALCR
SCHEMBL31073607 0.86 CXCR4 (0.63) CALCR
SCHEMBL29679999 0.86 CALCRL (0.55) CALCRLRAMP1KEAP1SLC6A2
SCHEMBL30974574 0.85 CALCRL (0.61) CALCRLCALCROPRM1OPRD1OPRK1
SCHEMBL30973991 0.85 CALCRL (0.57) CALCRLRAMP1SLC6A2
SCHEMBL30658558 0.85 F2 (0.56) CALCRLSLC6A2OPRM1OPRD1OPRK1
SCHEMBL30262231 0.84 KEAP1 (0.60) CALCRLRAMP1KEAP1OPRM1OPRD1
SCHEMBL30974463 0.84 CALCRL (0.55) CALCRLRAMP1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113429459-B Anti-platelet polypeptide, pharmaceutical composition thereof and application thereof 昆明医科大学第一附属医院 2022-07-26 — — CN claimed
CN-113429459-B Anti-platelet polypeptide, pharmaceutical composition thereof and application thereof 昆明医科大学第一附属医院 2022-07-26 — — CN disclosed
CN-113429459-B Anti-platelet polypeptide, pharmaceutical composition thereof and application thereof 昆明医科大学第一附属医院 2022-07-26 — — CN disclosed
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