SCHEMBL13617331

SCHEMBL13617331

Cc1cc(NC(=O)c2ccc(CC(C)C)cc2)c(-c2ccc(N)c(C=N)c2)cc1CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.40
HDAC2 Q92769 3/20 0.36
HDAC3 O15379 2/20 0.36

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
SCHEMBL13617334 0.89 FOS (0.42) HDAC1HDAC2
SCHEMBL13389098 0.77 MAPK14 (0.43)
SCHEMBL12954586 0.75 LTB4R (0.34)
SCHEMBL13617337 0.75 NPSR1 (0.39)
SCHEMBL13389125 0.68 ROCK2 (0.42)
SCHEMBL18653508 0.68 HDAC1 (0.76) HDAC1HDAC2HDAC3
SCHEMBL13389072 0.67 NPC1 (0.47)
SCHEMBL13389099 0.67 MAPK14 (0.43) HDAC1
SCHEMBL18670961 0.66 HDAC2 (0.66) HDAC1HDAC2HDAC3
SCHEMBL18671521 0.66 HDAC2 (0.66) HDAC1HDAC2HDAC3

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
WO-2009133831-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2009-11-05 WO disclosed