SCHEMBL4649024

SCHEMBL4649024

NC(=O)C(=O)C(c1ccc(-c2ncco2)cc1)C1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
LTA4H P09960 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CFTR P13569 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SCD O00767 1/20 0.31
NTRK1 P04629 1/20 0.31
USP9X Q93008 2/20 0.30
RORC P51449 1/20 0.30
P2RX7 Q99572 1/20 0.30
CTSA P10619 1/20 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
SCHEMBL4970705 0.81 PDK2 (0.39) HDAC4HDAC3HDAC1HDAC2
SCHEMBL981548 0.70 EPHX2 (0.40) HDAC4NTRK1
SCHEMBL983406 0.68 EPHX2 (0.38)
SCHEMBL18742726 0.62 HDAC4 (0.63) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL625260 0.62 TRPV3 (0.52) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL5789925 0.62 MKNK2 (0.51) HDAC4LTA4H
SCHEMBL4968726 0.61 HDAC4 (0.51) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL27907596 0.59 HDAC4 (0.67) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL18741984 0.59 CES1 (0.54) HDAC4LTA4HUSP9X
SCHEMBL15675358 0.59 KIF11 (0.50) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960351-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007065821-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed