SCHEMBL14918977

SCHEMBL14918977

COc1ccccc1NC(=O)CCCCCCCc1noc(C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 3/20 0.49
TSHR P16473 3/20 0.49
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 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
SCHEMBL14918978 1.00 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918218 1.00 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918279 0.99 HDAC3 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918445 0.96 ALDH1A1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918735 0.92 ALDH1A1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918752 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918841 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918400 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918426 0.85 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14918491 0.85 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7

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-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed