SCHEMBL13972780

SCHEMBL13972780

CC(C)(C)[S@+]([O-])NCCCCC(=O)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.55
HDAC1 Q13547 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 2/20 0.45
NSD2 O96028 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL10113379 0.85 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL10112840 0.83 HPGD (0.56) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL10113004 0.82 HPGD (0.55) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL14137556 0.79 MAPT (0.50) HDAC3HDAC1HDAC6KMT2AMEN1
SCHEMBL10113022 0.79 HPGD (0.57) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL13716396 0.79 MAPT (0.47) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL13716737 0.78 HDAC6 (0.60) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL13716773 0.77 MEN1 (0.46) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL10113406 0.75 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL5368440 0.75 HDAC3 (0.62) 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed