SCHEMBL28656987

SCHEMBL28656987

CC(C)(C)OC(=O)C(=O)NC(CC12CC3CC(CC(C3)C1)C2)C(=O)NC(CCCCOC(N)=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 1/20 0.33
▸ REN P00797 1/20 0.33
▸ ITGB3 P05106 3/20 0.32
▸ ITGA2B P08514 3/20 0.32
▸ ERAP2 Q6P179 2/20 0.32
▸ ERAP1 Q9NZ08 2/20 0.32
▸ LNPEP Q9UIQ6 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ EPHX2 P34913 2/20 0.30

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
SCHEMBL28656986 1.00 HDAC4 (0.39) HDAC4HDAC1NPFFR1NPFFR2REN
SCHEMBL22117420 0.77 HDAC1 (0.48) HDAC4HDAC1RENITGB3ITGA2B
SCHEMBL22117419 0.77 HDAC1 (0.48) HDAC4HDAC1RENITGB3ITGA2B
SCHEMBL28633961 0.76 NPFFR1 (0.43) NPFFR1NPFFR2RENERAP2ERAP1
SCHEMBL28633963 0.76 NPFFR1 (0.43) NPFFR1NPFFR2RENERAP2ERAP1
SCHEMBL31171934 0.76 ERAP2 (0.34) ERAP2ERAP1LNPEP
SCHEMBL30341837 0.71 KLK7 (0.54) ITGB3ITGA2B
SCHEMBL28652455 0.66 CTSS (0.53) HDAC4HDAC1REN
SCHEMBL28652456 0.66 CTSS (0.53) HDAC4HDAC1REN
SCHEMBL28644132 0.65 REN (0.59) REN

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-113544138-A Mitochondrial targeting peptides 隐形生物治疗公司 2021-10-22 — — CN disclosed
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