SCHEMBL30171144

SCHEMBL30171144

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ MAOB P27338 1/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM1B Q8NB78 1/20 0.44
▸ CTSD P07339 2/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ RAMP3 O60896 7/20 0.40
▸ CALCR P30988 7/20 0.40
▸ REN P00797 3/20 0.40
▸ NPY4R P50391 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ TEAD4 Q15561 1/20 0.39
▸ TEAD3 Q99594 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
SCHEMBL31573976 0.93 KDM1A (0.52) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31097702 0.92 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31097677 0.92 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31097719 0.92 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31239106 0.92 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL6520003 0.90 MAPK8 (0.45) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL8720811 0.90 MAPK8 (0.44) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL8720817 0.90 MAPK8 (0.44) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31632216 0.89 MEN1 (0.41) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL30242269 0.89 MAPK8 (0.51) KDM1AMAPK8MAPK9MAPK10KEAP1

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-113845566-B Walnut polypeptide for preventing Alzheimer's disease and application thereof 西北大学 2022-11-01 — — CN disclosed
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