SCHEMBL30961943

SCHEMBL30961943

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.50
▸ MAOB P27338 1/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ TFPI P10646 3/20 0.47
▸ BECN1 Q14457 5/20 0.44
▸ PTH1R Q03431 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ NPY5R Q15761 1/20 0.42

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
SCHEMBL29569680 0.89 KEAP1 (0.45) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29568737 0.88 KDM1A (0.55) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL31573976 0.88 KDM1A (0.52) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL38655078 0.88 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL30844409 0.88 KDM1A (0.47) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844377 0.86 RXFP1 (0.46) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL31544483 0.84 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30068847 0.84 KDM1A (0.50) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844263 0.84 KDM1A (0.45) KDM1AMAOBKDM5AKDM1BMAPK8
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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047835-A Antibacterial polypeptide and application thereof 中国人民解放军空军军医大学 2024-05-17 — — CN disclosed
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