SCHEMBL1149044

SCHEMBL1149044

CC(C)(C)N(CCCCCBr)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16401965 1.00 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1HDAC3
SCHEMBL4334790 1.00 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1HDAC3
SCHEMBL1148520 0.98 MEN1 (0.32) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL167777 0.92 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL24101 0.83 MEN1 (0.34) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15263236 0.82 FFAR1 (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL11060568 0.82 FFAR1 (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15569600 0.81 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1
SCHEMBL2121005 0.80 CHRM2 (0.41) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL22321638 0.80 MEN1 (0.31) MEN1KMT2AHTTL3MBTL1

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
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed