SCHEMBL6976780

SCHEMBL6976780

Cc1cc(C(=O)O)cc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 0.51
HDAC6 Q9UBN7 8/20 0.51
HDAC8 Q9BY41 2/20 0.48
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 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
SCHEMBL2229612 0.84 HDAC4 (0.49) HDAC4HDAC6HDAC8
SCHEMBL2227134 0.83 HDAC4 (0.51) HDAC4HDAC6HDAC8HDAC2HDAC3
SCHEMBL2226598 0.83 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC1
SCHEMBL25301459 0.81 TPMT (0.50)
SCHEMBL31362829 0.81 TPMT (0.50)
SCHEMBL2224130 0.80 HDAC4 (0.47) HDAC4HDAC6HDAC8HDAC1
SCHEMBL2224875 0.79 HDAC6 (0.59) HDAC4HDAC6HDAC8HDAC2HDAC3
SCHEMBL2225430 0.79 HDAC4 (0.49) HDAC4HDAC6HDAC8
SCHEMBL14645472 0.78 HDAC4 (0.69) HDAC4HDAC6HDAC8
SCHEMBL14645802 0.77 HDAC4 (0.58) HDAC4HDAC6HDAC8HDAC1HDAC5

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
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed