SCHEMBL8660751

SCHEMBL8660751

O=C(CCCCOc1ccc(I)cc1)NO

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.69
HDAC2 Q92769 8/20 0.69
HDAC6 Q9UBN7 5/20 0.66
HDAC3 O15379 4/20 0.66
HDAC4 P56524 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC10 Q969S8 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC9 Q9UKV0 4/20 0.66
HDAC5 Q9UQL6 4/20 0.66
MMP3 P08254 2/20 0.62
STAT3 P40763 1/20 0.56
MMP1 P03956 1/20 0.54

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
SCHEMBL19789098 0.83 HDAC1 (0.97) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL741005 0.82 HDAC1 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL13525415 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL13525414 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7045198 0.81 PPARA (0.63) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7045357 0.81 HDAC1 (0.97) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7047579 0.80 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7044810 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3383144 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6390077 0.80 HDAC1 (0.74) HDAC1HDAC2HDAC6HDAC3HDAC4

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
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed