SCHEMBL743742

SCHEMBL743742

Nc1ccc(CN(CP(=O)(O)O)CP(=O)(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
MAPT P10636 1/20 0.46
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
LMNA P02545 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
ACHE P22303 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL13496886 0.85 ANPEP (0.44) MAPTANPEPERAP2LOXL2HDAC8
SCHEMBL21754522 0.82 PTPN1 (0.47) ALDH1A1HDAC8HDAC6ACHEPTPN1
SCHEMBL743197 0.81 GFER (0.45) FDPSMAPTANPEPERAP2ALDH1A1
SCHEMBL1655196 0.80 LAP3 (0.46) FDPSANPEPERAP2ALDH1A1TSHR
SCHEMBL10383331 0.78 LAP3 (0.44) FDPSANPEPERAP2ALDH1A1TSHR
SCHEMBL13970794 0.78 MEP1B (0.54) ALDH1A1TSHRHDAC8HDAC6PTPN1
SCHEMBL21754525 0.77 APLNR (0.49) ANPEPERAP2ALDH1A1TSHRTDP1
SCHEMBL13422988 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTDP1HDAC8HDAC6
SCHEMBL16700402 0.76 MAPT (0.61) MAPTALDH1A1TSHRGFERCYP3A4
SCHEMBL3425324 0.76 LAP3 (0.46) FDPSANPEPERAP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306157-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORP (US) 2017-10-26 US disclosed
US-9732227-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2017-08-15 US disclosed
EP-3040382-A1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2016-07-06 EP disclosed
US-20160075880-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORPORATION 2016-03-17 US disclosed
US-8858695-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2014-10-14 US disclosed
EP-2431426-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-2431427-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-2431425-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-1951821-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2008-08-06 EP disclosed
WO-2007053564-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION (US) 2007-05-10 WO disclosed
US-20070100024-A1 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION 2007-05-03 US disclosed