SCHEMBL30416367

SCHEMBL30416367

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ RAMP3 O60896 7/20 0.41
▸ CALCR P30988 7/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ KEAP1 Q14145 2/20 0.40
▸ RAMP1 O60894 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
SCHEMBL29827418 1.00 CALCRL (0.46) CALCRLMAPK8MAPK9MAPK10RAMP3
SCHEMBL29977789 0.87 MAPK8 (0.46) CALCRLMAPK8MAPK9MAPK10PTPN1
SCHEMBL30582212 0.85 MAPK8 (0.47) MAPK8MAPK9MAPK10PTPN1
SCHEMBL30311197 0.82 MAPK8 (0.43) CALCRLMAPK8MAPK9MAPK10
SCHEMBL30311186 0.81 MAPK8 (0.42) CALCRLMAPK8MAPK9MAPK10
SCHEMBL29416074 0.80 CALCRL (0.45) CALCRLMAPK8MAPK9MAPK10
SCHEMBL30311202 0.80 ACE (0.52) MAPK8MAPK9MAPK10
SCHEMBL31410825 0.80 MAPK8 (0.56) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL31001016 0.80 MAPK8 (0.46) MAPK8MAPK9MAPK10KEAP1
SCHEMBL30844289 0.80 CMA1 (0.44) CALCRLMAPK8MAPK9MAPK10

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-114773447-B Application of ETGE polypeptide in preparation of medicines for treating multiple organ ischemia reperfusion injury 华中科技大学同济医学院附属协和医院 2023-06-06 — — CN claimed
CN-114773447-B Application of ETGE polypeptide in preparation of medicines for treating multiple organ ischemia reperfusion injury 华中科技大学同济医学院附属协和医院 2023-06-06 — — CN disclosed
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