SCHEMBL13972991

SCHEMBL13972991

CC(C)[S+]([O-])NCCCCC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 6/20 0.47
HDAC1 Q13547 5/20 0.47
NCOR2 Q9Y618 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 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
SCHEMBL15480431 0.79 POLB (0.66) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL10115474 0.78 HDAC3 (0.56) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL4133118 0.76 POLB (0.58) POLBRAB9AHDAC3HDAC1TP53
SCHEMBL13973255 0.75 HDAC4 (0.57) HDAC3HDAC1NCOR2BRD4
SCHEMBL6267767 0.74 POLB (0.59) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL15480422 0.74 HDAC1 (0.63) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL31203495 0.74 HDAC3 (0.54) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL17293747 0.73 POLB (0.58) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL6274364 0.73 POLB (0.58) POLBRAB9AHDAC3HDAC1NCOR2
SCHEMBL30944763 0.73 POLB (0.58) POLBRAB9AHDAC3HDAC1NCOR2

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