SCHEMBL29827555

SCHEMBL29827555

C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=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)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.52
▸ RAMP3 O60896 15/20 0.52
▸ CALCR P30988 15/20 0.52
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL29827592 0.99 RAMP3 (0.53) KEAP1RAMP3CALCRPTPN1
SCHEMBL30495774 0.86 RAMP3 (0.54) RAMP3CALCR
SCHEMBL9058997 0.85 RAMP3 (0.56) KEAP1RAMP3CALCR
SCHEMBL9058995 0.85 RAMP3 (0.56) KEAP1RAMP3CALCR
SCHEMBL8624738 0.84 RAMP3 (0.51) KEAP1RAMP3CALCR
SCHEMBL8624746 0.84 RAMP3 (0.51) KEAP1RAMP3CALCR
SCHEMBL8643257 0.83 KEAP1 (0.47) KEAP1RAMP3CALCR
SCHEMBL8643264 0.83 KEAP1 (0.47) KEAP1RAMP3CALCR
SCHEMBL29641591 0.83 KEAP1 (0.49) KEAP1RAMP3CALCRPTPN1
SCHEMBL8624366 0.83 RAMP3 (0.50) KEAP1RAMP3CALCR

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 4 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-A Application of ETGE polypeptide in preparation of medicine for treating multiple organ ischemia reperfusion injury 华中科技大学同济医学院附属协和医院 2022-07-22 — — 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
CN-114773447-A Application of ETGE polypeptide in preparation of medicine for treating multiple organ ischemia reperfusion injury 华中科技大学同济医学院附属协和医院 2022-07-22 — — CN disclosed
Send feedback