SCHEMBL29625799

SCHEMBL29625799

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.61
▸ KDM1A O60341 3/20 0.61
▸ MAOB P27338 1/20 0.61
▸ KDM5A P29375 1/20 0.61
▸ KDM1B Q8NB78 1/20 0.61
▸ C5AR1 P21730 1/20 0.59
▸ NPY2R P49146 5/20 0.58
▸ NPY4R P50391 5/20 0.58
▸ NPY5R Q15761 5/20 0.58
▸ NPY1R P25929 4/20 0.58
▸ CXCR4 P61073 1/20 0.58
▸ NMUR2 Q9GZQ4 3/20 0.58
▸ NMUR1 Q9HB89 3/20 0.58
▸ KEAP1 Q14145 1/20 0.58

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
SCHEMBL29625796 0.96 KDM1A (0.66) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29625798 0.96 TFPI (0.67) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29625797 0.95 TFPI (0.66) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29827447 0.94 KEAP1 (0.62) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30431273 0.92 NMUR2 (0.65) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL31183026 0.91 NPY2R (0.64) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29988048 0.91 NPY2R (0.64) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30176414 0.90 TFPI (0.64) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30176437 0.90 TFPI (0.64) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30423109 0.90 APLNR (0.60) TFPIC5AR1NPY2RNPY4RNPY5R

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-112759636-B Bioactive peptide with amino acid structure ESLKGVDPKFLR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN claimed
CN-112759636-B Bioactive peptide with amino acid structure ESLKGVDPKFLR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN disclosed
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