SCHEMBL12371968

SCHEMBL12371968

CCOc1ccc(Nc2ccc(C(c3ccc(N(CCO)CCO)cc3C)c3ccc(N(CCO)CCO)cc3C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
MCL1 Q07820 1/20 0.49
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ACACB O00763 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL12399558 0.94 MAPT (0.44) MAPTGAAPKMHTTMCL1
SCHEMBL14401486 0.92 MAPT (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL20100523 0.86 MAPT (0.59) MAPTGAAPKMHTTMCL1
SCHEMBL12342189 0.79 MAPT (0.50) MAPTGAAPKMHTTMCL1
SCHEMBL5009578 0.77 MAPT (0.59) MAPTGAAPKMHTTMCL1
SCHEMBL2759043 0.77 KMT2A (0.75) MAPTGAAPKMHTTMCL1
SCHEMBL12342190 0.77 MAPT (0.55) MAPTGAAPKMHTTMCL1
SCHEMBL9968787 0.76 SNCA (0.51) MAPTKMT2ALMNATP53MEN1
SCHEMBL7650155 0.73 MAPT (0.61) MAPTGAAPKMHTTMCL1
SCHEMBL12256273 0.73 SNCA (0.49) MAPTKMT2ALMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003589-B2 Laundry composition THE PROCTER & GAMBLE COMPANY (US) 2011-08-23 US disclosed
US-20090186797-A1 LAUNDRY COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2009-07-23 US disclosed
US-20080229519-A1 Liquid treatment composition PROCTER & GAMBLE COMPANY, THE 2008-09-25 US disclosed
US-7208459-B2 Laundry detergent compositions with efficient hueing dye THE PROCTER & GAMBLE COMPANY (US) 2007-04-24 US disclosed
US-7205269-B2 Laundry detergent compositions with hueing dye THE PROCTER & GAMBLE COMPANY (US) 2007-04-17 US disclosed