SCHEMBL30297942

SCHEMBL30297942

C[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC[C@@H](O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KEAP1 Q14145 1/20 0.43
▸ KDM1A O60341 3/20 0.42
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ CALCRL Q16602 1/20 0.38
▸ IL23R Q5VWK5 4/20 0.38
▸ RAMP3 O60896 6/20 0.36
▸ CALCR P30988 6/20 0.36

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
SCHEMBL29590531 0.87 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29531747 0.83 KEAP1 (0.45) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30974174 0.82 KDM1A (0.38) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29531601 0.81 KEAP1 (0.41) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29630744 0.80 MAPK8 (0.50) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29517268 0.80 NMT1 (0.45) KDM1AMAOBKDM5AKDM1B
SCHEMBL32690588 0.78 MAPK8 (0.51) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30974409 0.78 MAPK8 (0.55) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29924267 0.77 PRCP (0.41) KEAP1
SCHEMBL29548137 0.77 PRCP (0.41) KEAP1

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-113337565-B Marine biological active peptide with obvious skin sunburn protection effect and preparation method and application thereof 中国科学院南海海洋研究所 2023-03-17 — — CN disclosed
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