SCHEMBL9005388

SCHEMBL9005388

CCCCCCCC/C=C\CCCCCCCCOCCN(CCO)CCOCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
LPAR1 Q92633 2/20 0.45
LPAR3 Q9UBY5 2/20 0.45
LPAR2 Q9HBW0 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL9005393 1.00 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9229835 1.00 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9229842 1.00 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL29283697 0.94 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL19833486 0.92 MEN1 (0.49) MEN1THRBHTTKMT2AMAPT
SCHEMBL29359268 0.91 MEN1 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL10065906 0.91 MEN1 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL13679069 0.91 MEN1 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL1968980 0.90 MEN1 (0.61) MEN1THRBHTTKMT2AMAPT
SCHEMBL9807891 0.90 MEN1 (0.61) MEN1THRBHTTKMT2AMAPT

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-5562847-A QUATERNARY AMMONIUM SOFTENING COMPOUND AND THE ESTER OF A PERFUME ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 1996-10-08 US disclosed