SCHEMBL14917836

SCHEMBL14917836

CC[C@@H](COc1ccc(-c2noc(C(F)(F)F)n2)cc1)NC(=O)c1oc2ccccc2c1COCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC4 P56524 19/20 0.51
HDAC6 Q9UBN7 10/20 0.49
HDAC1 Q13547 1/20 0.40

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
SCHEMBL14917837 1.00 LMNA (0.52) LMNATP53NPSR1L3MBTL1HDAC4
SCHEMBL444821 0.85 LMNA (0.59) LMNATP53NPSR1L3MBTL1HDAC4
SCHEMBL4255186 0.82 LMNA (0.56) LMNATP53NPSR1L3MBTL1HDAC4
SCHEMBL14917894 0.77 HDAC4 (0.55) HDAC4HDAC6HDAC1
SCHEMBL445772 0.75 LMNA (0.60) LMNATP53NPSR1L3MBTL1HDAC4
SCHEMBL14917729 0.73 HDAC4 (0.65) HDAC4HDAC6HDAC1
SCHEMBL14918056 0.72 HDAC4 (0.57) LMNAL3MBTL1HDAC4HDAC6HDAC1
SCHEMBL14918393 0.72 HDAC4 (0.56) HDAC4HDAC6HDAC1
SCHEMBL4247069 0.71 LMNA (0.58) LMNATP53NPSR1L3MBTL1HDAC4
SCHEMBL20838108 0.71 HDAC4 (0.83) HDAC4HDAC6HDAC1

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-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed