SCHEMBL4747310

SCHEMBL4747310

CNCCNC(=O)CC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
PLK1 P53350 1/20 0.37

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
SCHEMBL838367 0.95 MAPT (0.44) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL402847 0.92 MAPT (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL10029314 0.92 MAPT (0.44) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL14369609 0.91 SMN1; SMN2 (0.46) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL4758832 0.91 USP2 (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12091364 0.91 MAPT (0.43) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL838083 0.91 MAPT (0.49) MAPTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL1707907 0.91 USP2 (0.50) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL10030725 0.91 USP2 (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL401764 0.91 RECQL (0.47) MAPTPOLBKMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916084-B2 Ultra-violet curable gellant inks for three-dimensional printing and digital fabrication applications XEROX CORPORATION (US) 2014-12-23 US disclosed
US-8177897-B2 Phase change inks containing graphene-based carbon allotrope colorants XEROX CORPORATION (US) 2012-05-15 US disclosed
US-20100124611-A1 Phase Change Inks Containing Graphene-Based Carbon Allotrope Colorants XEROX CORPORATION (US) 2010-05-20 US disclosed
US-20100055484-A1 Ultra-Violet Curable Gellant Inks For Three-Dimensional Printing And Digital Fabrication Applications XEROX CORPORATION (US) 2010-03-04 US disclosed
US-20100055407-A1 Ultra-Violet Curable Gellant Inks For Creating Tactile Text And Images For Packaging Applications XEROX CORPORATION (US) 2010-03-04 US disclosed
US-20090317559-A1 METHOD OF CONTROLLING GLOSS IN UV CURABLE OVERCOAT COMPOSITIONS XEROX CORPORATION (US) 2009-12-24 US disclosed