SCHEMBL13239485

SCHEMBL13239485

CCCCCCCCCCCCc1ccc(NC(=O)CC(C)=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.88
THRA P10827 3/20 0.62
THRB P10828 3/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.58
SPHK1 Q9NYA1 7/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
S1PR1 P21453 1/20 0.57

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
SCHEMBL7056819 1.00 POLB (0.88) POLBTHRATHRBNPC1RAB9A
SCHEMBL7057797 0.98 POLB (0.91) POLBTHRATHRBNPC1RAB9A
SCHEMBL9429642 0.94 POLB (1.00) POLBTHRATHRBNPC1RAB9A
SCHEMBL5551950 0.87 POLB (0.81) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8626264 0.86 ALDH1A1 (0.67) POLBTHRATHRBNPC1RAB9A
SCHEMBL25269210 0.86 ENPP2 (0.69) POLBTHRATHRBNPC1RAB9A
SCHEMBL27909135 0.86 ENPP2 (0.69) POLBTHRATHRBNPC1RAB9A
SCHEMBL11297385 0.85 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL6746649 0.85 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL3027338 0.85 THRA (0.68) POLBTHRATHRBSPHK1CA12

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-7749315-B2 Contaaining polymeric dye or dimer thereof XEROX CORPORATION (US) 2010-07-06 US disclosed
EP-1983032-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-10-22 EP disclosed
US-20080245264-A1 Phase change inks containing colorant compounds XEROX CORPORATION. 2008-10-09 US disclosed
US-7381831-B1 Colorant compounds XEROX CORPORATION (US) 2008-06-03 US disclosed