SCHEMBL31362664

SCHEMBL31362664

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.59
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55
▸ KEAP1 Q14145 1/20 0.52
▸ EPHA2 P29317 2/20 0.52
▸ NPY2R P49146 6/20 0.49
▸ NPY4R P50391 6/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ NPY1R P25929 4/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ NMUR2 Q9GZQ4 2/20 0.48
▸ NMUR1 Q9HB89 2/20 0.48
▸ F2 P00734 1/20 0.47
▸ REN P00797 1/20 0.47

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
SCHEMBL31362641 0.93 KDM1A (0.60) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30978824 0.92 EPHA2 (0.52) KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL30978826 0.86 NPY2R (0.57) KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL30262204 0.84 KDM1A (0.63) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30737611 0.84 KDM1A (0.69) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30737437 0.84 KDM1A (0.69) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29899273 0.82 MAPK8 (0.61) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30607414 0.82 MAPK8 (0.64) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29811013 0.82 F2 (0.57) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31307276 0.82 NTSR1 (0.60) KDM1AMAOBKDM5AKDM1BNPY2R

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-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 — — CN claimed
CN-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 — — CN disclosed
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