SCHEMBL15548702

SCHEMBL15548702

CCCC(=O)NCCCC(=O)NCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.72
HDAC1 Q13547 3/20 0.72
HDAC2 Q92769 3/20 0.72
HDAC10 Q969S8 3/20 0.72
HDAC11 Q96DB2 3/20 0.72
HDAC8 Q9BY41 3/20 0.72
HDAC6 Q9UBN7 3/20 0.72
NCOR2 Q9Y618 3/20 0.72
HDAC4 P56524 2/20 0.72
HDAC9 Q9UKV0 2/20 0.72
HDAC7 Q8WUI4 1/20 0.72
HDAC5 Q9UQL6 1/20 0.72
HPGD P15428 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.66
EPHX2 P34913 2/20 0.64
TAAR1 Q96RJ0 1/20 0.62
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
F13A1 P00488 1/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL1690856 0.94 HPGD (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15550290 0.91 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1285523 0.90 HPGD (0.74) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15598268 0.89 HPGD (0.77) HPGDL3MBTL1LMNATSHRGAA
SCHEMBL7426779 0.89 EPHX2 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL23106059 0.88 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15598243 0.88 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4183114 0.88 EPHX2 (0.80) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL19043177 0.88 EPHX2 (0.80) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15550563 0.88 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC11

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-2014018913-A2 SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2014-01-30 WO disclosed