SCHEMBL11116772

SCHEMBL11116772

O=C(O)OC1CCC(CNC(=O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
MAPK14 Q16539 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL2303341 0.87 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7487287 0.83 HDAC6 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Benzoic Acid SCHEMBL28285625 0.83 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11023693 0.82 MAPK14 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11518102 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8393362 0.81 SMN1; SMN2 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8391563 0.81 SMN1; SMN2 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
Methyl Benzoate SCHEMBL28309417 0.81 TSHR (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10099589 0.80 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8598520 0.80 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0080334-B1 4-(N-(HYDROXYBENZYL)AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACIDS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-17 EP claimed