SCHEMBL9829936

SCHEMBL9829936

CC(C)(C)OC(=O)NC(CC(F)(F)C(=O)O)C(O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
GAA P10253 2/20 0.38
REN P00797 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
BTK Q06187 1/20 0.36
KMT2A Q03164 1/20 0.36
KLK5 Q9Y337 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL13256269 0.79 HDAC4 (0.45) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL13256278 0.79 HDAC4 (0.45) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL13256297 0.77 HDAC4 (0.43) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4753064 0.76 GAA (0.47) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL13636231 0.76 GAA (0.47) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL7264782 0.76 GAA (0.47) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL7448540 0.75 CTSS (0.42) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL4295798 0.75 CTSK (0.44) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL10660697 0.75 CTSK (0.44) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL16469899 0.75 CTSK (0.44) CTSSCTSKHDAC4HDAC1HDAC6

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
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed