SCHEMBL29414603

SCHEMBL29414603

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(C)C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.47
▸ CALCRL Q16602 1/20 0.46
▸ KEAP1 Q14145 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM1B Q8NB78 1/20 0.43
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ EPHA2 P29317 2/20 0.39
▸ BECN1 Q14457 1/20 0.37
▸ PRCP P42785 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ BAD Q92934 1/20 0.35

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
SCHEMBL31573976 0.88 KDM1A (0.52) KDM1ACALCRLKEAP1MAOBKDM5A
SCHEMBL31720924 0.88 PRCP (0.41) KDM1ACALCRLKEAP1MAOBKDM5A
SCHEMBL29531541 0.88 PRCP (0.41) KDM1ACALCRLKEAP1MAOBKDM5A
SCHEMBL29414611 0.87 KDM1A (0.55) KDM1ACALCRLKEAP1MAOBKDM5A
SCHEMBL30745230 0.86 MEN1 (0.41) KDM1ACALCRLKEAP1MAOBKDM5A
SCHEMBL30564979 0.86 MEN1 (0.39) KDM1ACALCRLKEAP1MAOBKDM5A
SCHEMBL30171144 0.86 KDM1A (0.48) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29886731 0.86 MAPK8 (0.41) KDM1ACALCRLKEAP1MAPK8MAPK9
SCHEMBL30844263 0.85 KDM1A (0.45) KDM1ACALCRLMAOBKDM5AKDM1B
SCHEMBL5402328 0.84 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BMAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022028036-A1 SELF-ASSEMBLING POLYPEPTIDE, PREPARATION METHOD THEREFOR, SELF-ASSEMBLING POLYPEPTIDE PREPARATION AND USE THEREOF 赛克赛斯生物科技股份有限公司 2022-02-10 — — WO claimed
US-20230310702-A1 SELF-ASSEMBLING PEPTIDES, PREPARATION METHODS, SELF-ASSEMBLING PEPTIDE FORMULATIONS AND USE SUCCESS BIO-TECH CO., LTD. (CN) 2023-10-05 — — US disclosed
WO-2022028036-A1 SELF-ASSEMBLING POLYPEPTIDE, PREPARATION METHOD THEREFOR, SELF-ASSEMBLING POLYPEPTIDE PREPARATION AND USE THEREOF 赛克赛斯生物科技股份有限公司 2022-02-10 — — WO disclosed
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