SCHEMBL6976440

SCHEMBL6976440

O=Cc1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.70
HDAC1 Q13547 10/20 0.64
HDAC4 P56524 7/20 0.53
HDAC3 O15379 2/20 0.50
HPGDS O60760 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43

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
SCHEMBL3089442 0.84 HDAC6 (0.68) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL3089445 0.84 HDAC6 (0.68) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL3094688 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL13838820 0.82 CYP3A4 (0.54) HDAC6HDAC1HPGDSHSD17B1HSD17B2
SCHEMBL2224563 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL3098643 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC4HSD17B1HSD17B2
SCHEMBL1891576 0.76 ERN1 (0.57) HDAC6HDAC1HDAC4HDAC3HPGDS
SCHEMBL3097716 0.75 HDAC6 (0.71) HDAC6HDAC1HDAC4HDAC3HSD17B1
SCHEMBL18003262 0.75 PRF1 (0.47) HDAC6HDAC1HDAC4HSD17B1HSD17B2
SCHEMBL4655054 0.74 HDAC6 (0.71) HDAC6HDAC1HDAC4HDAC3

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
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed