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SCHEMBL30512776

SCHEMBL30512776

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.61
▸ EPHA2 P29317 2/20 0.61
▸ MAOB P27338 1/20 0.59
▸ KDM5A P29375 1/20 0.59
▸ KDM1B Q8NB78 1/20 0.59
▸ NTSR2 O95665 4/20 0.58
▸ NTSR1 P30989 4/20 0.58
▸ SORT1 Q99523 3/20 0.58
▸ NPY2R P49146 6/20 0.57
▸ NPY4R P50391 6/20 0.57
▸ NPY5R Q15761 6/20 0.57
▸ NPY1R P25929 4/20 0.57
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 3/20 0.56
▸ RAMP3 O60896 1/20 0.56
▸ CALCR P30988 1/20 0.56

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
SCHEMBL29395807 0.91 KDM1A (0.64) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31307252 0.91 EPHA2 (0.63) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31031455 0.90 KDM1A (0.65) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL32677401 0.90 NMUR2 (0.62) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL30053247 0.90 KDM1A (0.62) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31091491 0.89 EPHA2 (0.61) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31031546 0.89 KDM1A (0.67) KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29477118 0.89 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BNTSR2
SCHEMBL29903316 0.88 NPY2R (0.64) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL29406800 0.88 EPHA2 (0.59) KDM1AEPHA2NMUR2NMUR1

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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