SCHEMBL25835305

SCHEMBL25835305

CC(C)(C)OC(=O)N[C@@H](CCC1CC2CCCC(C2)C1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 3/20 0.45
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
ITGAV P06756 1/20 0.42
ITGB6 P18564 1/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
BTK Q06187 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACE P12821 1/20 0.39
CACNA1B Q00975 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL8277352 0.90 CTSK (0.53) CTSKCTSSHDAC4HDAC1ITGAV
SCHEMBL19245139 0.90 CTSK (0.53) CTSKCTSSHDAC4HDAC1ITGAV
SCHEMBL18762606 0.87 CTSK (0.56) CTSKCTSSHDAC4HDAC1ITGAV
SCHEMBL31407449 0.87 CTSK (0.56) CTSKCTSSHDAC4HDAC1ITGAV
SCHEMBL25381677 0.87 CTSS (0.56) CTSKCTSSHDAC4HDAC1PPARA
SCHEMBL19066733 0.87 CTSS (0.56) CTSKCTSSHDAC4HDAC1PPARA
SCHEMBL3726766 0.85 CTSK (0.58) CTSKCTSSHDAC4HDAC1PPARA
SCHEMBL31551112 0.85 CTSK (0.58) CTSKCTSSHDAC4HDAC1PPARA
SCHEMBL3726757 0.85 CTSK (0.58) CTSKCTSSHDAC4HDAC1PPARA
SCHEMBL12025753 0.82 CTSK (0.46) CTSKCTSSPPARAPPARGITGB3

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
EP-4209494-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF Fujian Akeylink Biotechnology Co., Ltd. (CN) 2023-07-12 EP disclosed