SCHEMBL30997395

SCHEMBL30997395

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.50
▸ CTSB P07858 1/20 0.45
▸ CALCRL Q16602 5/20 0.44
▸ KEAP1 Q14145 1/20 0.41
▸ RAMP3 O60896 5/20 0.41
▸ CALCR P30988 5/20 0.41
▸ 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
SCHEMBL30930182 0.91 RAMP3 (0.50) CAPN1KEAP1RAMP3CALCR
SCHEMBL30997417 0.89 KEAP1 (0.48) KEAP1RAMP3CALCR
SCHEMBL30930162 0.88 RAMP3 (0.50) KEAP1RAMP3CALCR
SCHEMBL30997383 0.87 RAMP3 (0.50) KEAP1RAMP3CALCR
SCHEMBL30930164 0.86 NPY2R (0.47) KEAP1RAMP3CALCR
SCHEMBL30997418 0.85 RAMP3 (0.53) RAMP3CALCR
SCHEMBL30997416 0.85 RAMP3 (0.50) RAMP3CALCR
SCHEMBL31433177 0.85 KEAP1 (0.50) CAPN1CALCRLKEAP1RAMP3CALCR
SCHEMBL30930174 0.84 RAMP3 (0.50) RAMP3CALCR
SCHEMBL29568037 0.82 CAPN1 (0.42) CAPN1CTSB

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-118221777-A Polypeptide for repairing skin wound or mucous membrane injury and application thereof 四川好医生攀西药业有限责任公司 2024-06-21 — — CN claimed
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