SCHEMBL7679458

SCHEMBL7679458

NCCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.61
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PPARA Q07869 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
Hydrochloric Acid SCHEMBL7686335 0.98 LSS (0.60) LSSGAAMEN1LMNAMAPT
SCHEMBL7681812 0.87 LSS (0.64) LSSGAAMEN1LMNAMAPT
SCHEMBL8918756 0.87 ATM (0.50) ITGB3ITGA2BL3MBTL1
SCHEMBL2147268 0.85 ATM (0.51) ITGB3ITGA2BL3MBTL1
SCHEMBL29004517 0.84 TP53 (0.67) LSSMAPT
Hydrochloric Acid SCHEMBL8444293 0.84 PPARA (0.68) LSSGAALMNAMAPTMAPK1
SCHEMBL6340600 0.82 LSS (0.62) LSSMEN1LMNAMAPTMAPK1
SCHEMBL7685835 0.81 LSS (0.61) LSSGAAMEN1LMNAMAPT
SCHEMBL25279717 0.80 GAA (0.72) LSSGAAMEN1LMNAMAPT
SCHEMBL16414705 0.80 GAA (0.61) LSSGAAPPARAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed