SCHEMBL31573976

SCHEMBL31573976

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.52
▸ KEAP1 Q14145 1/20 0.48
▸ 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
▸ BACE1 P56817 7/20 0.45
▸ CTSD P07339 3/20 0.45
▸ CALCRL Q16602 1/20 0.40
▸ TFPI P10646 2/20 0.40
▸ NPY4R P50391 3/20 0.40
▸ NPY1R P25929 2/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ VIPR1 P32241 1/20 0.39
▸ VIPR2 P41587 1/20 0.39

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
SCHEMBL30171144 0.93 KDM1A (0.48) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29414603 0.88 KDM1A (0.47) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30658561 0.88 MAPK8 (0.43) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30961943 0.88 KDM1A (0.50) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30242269 0.87 MAPK8 (0.51) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29965273 0.87 MAPK8 (0.61) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29437943 0.87 MAPK8 (0.43) KEAP1MAPK8MAPK9MAPK10NPY4R
SCHEMBL31307245 0.86 KEAP1 (0.50) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29395836 0.86 KDM1A (0.54) KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL31475694 0.86 CALCRL (0.46) KDM1AKEAP1MAOBKDM5AKDM1B

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-119949415-A Small molecular peptide composite nutrition breeding feed 北京攀宝生物科技集团有限公司 2025-05-09 — — CN claimed
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