SCHEMBL12374438

SCHEMBL12374438

CCN(CC)c1ccc(C(O)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
PSMD14 O00487 1/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
GFER P55789 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
NR1H2 P55055 5/20 0.47
NR1H3 Q13133 5/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL593400 0.92 NR1H2 (0.54) SLC2A1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL14137955 0.90 SLC2A1 (0.53) SLC2A1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL15984367 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRMAPK1PSMD14
SCHEMBL13211689 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMAPK1PSMD14
SCHEMBL1735497 0.80 ALDH1A1 (0.74) ALDH1A1L3MBTL1TSHRMAPK1PSMD14
SCHEMBL5173944 0.79 SMN1; SMN2 (0.55) ALDH1A1L3MBTL1MAPK1GFERNR1H2
SCHEMBL5494992 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRMAPK1PSMD14
SCHEMBL6278267 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRMAPK1PSMD14
SCHEMBL4400877 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRMAPK1PSMD14
SCHEMBL7124946 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRMAPK1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303671-B2 Mixture of basic dye and acid dye with wax XEROX CORPORATION (US) 2012-11-06 US disclosed
US-8303671-B2 Mixture of basic dye and acid dye with wax XEROX CORPORATION (US) 2012-11-06 US disclosed
US-7997712-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2011-08-16 US disclosed
US-7997712-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2011-08-16 US disclosed
EP-1958992-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP disclosed
US-20080187664-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 US disclosed
US-20080187664-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 US disclosed
US-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 US disclosed
US-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 US disclosed
US-20080186371-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 US disclosed
US-20080186371-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 US disclosed
US-20080184911-A1 Colorant compounds XEROX CORPORATION 2008-08-07 US disclosed
US-20080184911-A1 Colorant compounds XEROX CORPORATION 2008-08-07 US disclosed