SCHEMBL31001017

SCHEMBL31001017

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.47
▸ RAMP1 O60894 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NTSR2 O95665 7/20 0.41
▸ NTSR1 P30989 7/20 0.41
▸ SORT1 Q99523 6/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.41
▸ NMUR1 Q9HB89 1/20 0.41
▸ CMA1 P23946 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ NAA50 Q9GZZ1 1/20 0.39

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
SCHEMBL31001019 0.88 CALCRL (0.45) CALCRLRAMP1NTSR2NTSR1SORT1
SCHEMBL30974105 0.85 CALCRL (0.46) CALCRLRAMP1NTSR2NTSR1SORT1
SCHEMBL30311236 0.85 XIAP (0.48) NTSR2NTSR1SORT1CMA1XIAP
SCHEMBL30974508 0.84 CALCRL (0.46) CALCRLRAMP1KEAP1NMUR2NMUR1
Acetic Acid SCHEMBL30311279 0.83 ELANE (0.47) NTSR2NTSR1SORT1CMA1XIAP
SCHEMBL30132455 0.83 KEAP1 (0.47) CALCRLKEAP1NTSR2NTSR1SORT1
SCHEMBL30311319 0.82 CMA1 (0.47) NTSR2NTSR1SORT1CMA1XIAP
SCHEMBL31415942 0.82 NTSR1 (0.46) KEAP1NTSR2NTSR1SORT1
SCHEMBL30436677 0.81 NMUR2 (0.44) NTSR2NTSR1SORT1NMUR2NMUR1
SCHEMBL29575852 0.81 CMA1 (0.51) CALCRLNTSR2NTSR1SORT1CMA1

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-118240007-A Polypeptide and application thereof in preventing or repairing mucous membrane injury and promoting cornea injury recovery 四川好医生攀西药业有限责任公司 2024-06-25 — — CN claimed
CN-118240007-A Polypeptide and application thereof in preventing or repairing mucous membrane injury and promoting cornea injury recovery 四川好医生攀西药业有限责任公司 2024-06-25 — — CN disclosed
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