SCHEMBL8833852

SCHEMBL8833852

O=C(O)C(=O)C1=CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.54
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC4 P56524 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CTSK P43235 1/20 0.38
TSHR P16473 2/20 0.34
SLC6A1 P30531 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
BLM P54132 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
OAT P04181 1/20 0.32
CCR2 P41597 1/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.31
GABRP O00591 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
SCHEMBL8833264 0.93 HDAC2 (0.55) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL8939555 0.81 HDAC2 (0.54) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL8939554 0.81 HDAC2 (0.54) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL502595 0.80
Ammonia Solution, Strong SCHEMBL7758144 0.78
SCHEMBL9550774 0.78
Hydrochloric Acid SCHEMBL10803110 0.78
SCHEMBL11002945 0.77 HDAC2 (0.50) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL8394444 0.77 HDAC2 (0.50) HDAC2HDAC3HDAC1HDAC4HDAC8
SCHEMBL2774579 0.77 HDAC2 (0.60) HDAC2HDAC3HDAC1HDAC4HDAC8

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
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed