SCHEMBL4640800

SCHEMBL4640800

CCCCS(=O)(=O)C(O)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 4/20 0.39
GPR84 Q9NQS5 7/20 0.34

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
SCHEMBL9464587 0.84 CA2 (0.47) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL8778761 0.84 CA2 (0.41) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL11359939 0.80 CHRM1 (0.30)
SCHEMBL11359821 0.80 CHRM1 (0.30)
SCHEMBL8705409 0.78 CA2 (0.42) TP53CA2GPR84FFAR1FAAH
SCHEMBL8778745 0.77 CA2 (0.48) TP53CA2FAAH
SCHEMBL8778847 0.76 CA2 (0.47) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL8778779 0.76 CA2 (0.52) CA2FAAH
SCHEMBL8778802 0.76 CA2 (0.52) CA2FAAH
SCHEMBL8778767 0.76 CA2 (0.52) CA2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958992-B1 Phase change inks containing colorant compounds XEROX CORP (US) 2013-03-13 EP disclosed
EP-1956052-B1 Colorant compounds XEROX CORP (US) 2012-12-05 EP disclosed
US-8303671-B2 Mixture of basic dye and acid dye with wax XEROX CORPORATION (US) 2012-11-06 US disclosed
EP-1958992-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP disclosed
EP-1956052-A2 Colorant compounds Xerox Corporation (US) 2008-08-13 EP 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