SCHEMBL29569680

SCHEMBL29569680

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ KDM1A O60341 3/20 0.42
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ REN P00797 3/20 0.39
▸ RAMP3 O60896 7/20 0.39
▸ CALCR P30988 7/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.38
▸ NMUR1 Q9HB89 1/20 0.38
▸ BECN1 Q14457 1/20 0.37
▸ TFPI P10646 1/20 0.37

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
SCHEMBL30440026 0.92 MAPK8 (0.46) KEAP1MAPK8MAPK9MAPK10RAMP3
SCHEMBL29824839 0.91 MEN1 (0.40) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL31195953 0.91 MAPK8 (0.49) KEAP1MAPK8MAPK9MAPK10RAMP3
SCHEMBL8720817 0.89 MAPK8 (0.44) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL8720811 0.89 MAPK8 (0.44) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL29993959 0.89 MAPK8 (0.52) KEAP1MAPK8MAPK9MAPK10REN
SCHEMBL30961943 0.89 KDM1A (0.50) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL29825310 0.88 MAPK8 (0.44) KEAP1MAPK8MAPK9MAPK10
SCHEMBL29886731 0.88 MAPK8 (0.41) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30171144 0.88 KDM1A (0.48) KEAP1MAPK8MAPK9MAPK10KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118697898-A Targeting synergistic drug system based on macrophage exosome and preparation method thereof 首都医科大学附属北京朝阳医院 2024-09-27 — — CN disclosed
CN-115120552-A Polypeptide drug-loaded microneedle patch capable of releasing drug in microenvironment response manner, preparation and application 华中科技大学 2022-09-30 — — CN disclosed
CN-114099664-B Treg cell exosome-based targeted synergistic drug system and preparation method thereof 首都医科大学附属北京朝阳医院 2022-09-27 — — CN disclosed
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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