SCHEMBL14224541

SCHEMBL14224541

CC(C)(C)OC(=O)NCC(=O)NCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP13 P45452 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1109331 1.00 HDAC1 (0.46) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL1109249 0.92 CTSB (0.52) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL403664 0.90 MMP13 (0.40) MMP13
SCHEMBL14195926 0.90 MMP13 (0.40) MMP13
SCHEMBL1109344 0.90 DRD2 (0.41) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL1912232 0.88 HDAC1 (0.47) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL13659690 0.88 HDAC1 (0.47) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL1109116 0.88 HDAC1 (0.47) HDAC1CTSBMAPT
SCHEMBL1109402 0.87 CTSS (0.49) CTSBCTSSCTSKMMP13
SCHEMBL13659637 0.84 CTSB (0.47) HDAC1CTSBCTSSCTSKADAMTS4

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
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed