SCHEMBL5368440

SCHEMBL5368440

CC(C)(C)CCCC(=O)Nc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NSD2 O96028 1/20 0.49
ABL1 P00519 1/20 0.49
LMNA P02545 1/20 0.49
RIN1 Q13671 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.49
XBP1 P17861 1/20 0.49

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
SCHEMBL24590187 0.92 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL22667768 0.84 TP53 (0.55) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL7751695 0.83 HDAC4 (0.60) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL18425276 0.81 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL11923469 0.81 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL27561607 0.80 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL20922087 0.80 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL5328815 0.80 HPGD (0.65) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL3924472 0.79 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL4132292 0.79 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6KMT2A

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-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed