SCHEMBL30666383

SCHEMBL30666383

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.55
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ RAMP3 O60896 14/20 0.51
▸ CALCR P30988 14/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47

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
SCHEMBL29389635 0.88 RAMP3 (0.57) KDM1ARAMP3CALCRMAPK8MAPK9
SCHEMBL10336157 0.86 KDM1A (0.45) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL10336152 0.86 KDM1A (0.45) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30666382 0.86 CXCR4 (0.53) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL8936994 0.86 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL8936988 0.86 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30781628 0.85 MAPK8 (0.49) KDM1ARAMP3CALCRMAPK8MAPK9
SCHEMBL30432784 0.84 KDM1A (0.58) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL31031615 0.84 RAMP3 (0.56) KDM1ARAMP3CALCRMAPK8MAPK9
SCHEMBL29837376 0.84 MAPK8 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143197-A Peptides for targeted expression of Nectin-4 cells for treating cancers and application thereof 主流源生物科技(上海)有限公司 2023-12-01 — — CN claimed
CN-117143197-A Peptides for targeted expression of Nectin-4 cells for treating cancers and application thereof 主流源生物科技(上海)有限公司 2023-12-01 — — CN disclosed
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