SCHEMBL9867129

SCHEMBL9867129

O=C(CCCCCCCNC(=O)OCc1ccccc1)Nc1cccc(C(=O)NCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.49
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HTT P42858 1/20 0.48
SENP1 Q9P0U3 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TGM2 P21980 1/20 0.47
AURKA O14965 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10444691 1.00 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL9335791 0.99 HTT (0.49) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL9865134 0.96 HTT (0.53) HTTSENP1GAARAB9ASIRT2
SCHEMBL9866050 0.93 GAA (0.54) HTTSENP1GAARAB9AMEN1
SCHEMBL9339394 0.91 CA1 (0.51) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL9865066 0.88 HTT (0.57) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL9866193 0.87 HTT (0.58) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL9879968 0.84 HTT (0.60) HTTRAB9AMEN1KMT2A
SCHEMBL14264247 0.83 HTT (0.64) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL9867345 0.83 NAMPT (0.52) HTTSENP1PAX8

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed