SCHEMBL15530841

SCHEMBL15530841

CC(C(=O)O)(c1ccc(N)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
EPHX2 P34913 1/20 0.41
ESRRG P62508 1/20 0.39
MAPT P10636 2/20 0.37
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
PTGS1 P23219 2/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
PTPN1 P18031 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL15187676 0.76 FDPS (0.47) FDPSCYP1A2EPHX2ESRRGMAPT
SCHEMBL2637396 0.76 FDPS (0.47) FDPSCYP1A2EPHX2ESRRGMAPT
SCHEMBL262460 0.74 MAPT (0.48) CYP2D6EPHX2ESRRGMAPTHIF1A
SCHEMBL4058786 0.72 CYP2D6 (0.42) CYP1A2CYP2D6EPHX2ESRRGMAPT
SCHEMBL3563313 0.72 CYP1A2 (0.50) CYP1A2CYP2D6EPHX2ESRRGMAPT
SCHEMBL9837845 0.71 KIF11 (0.43) CYP2D6EPHX2ESRRGMAPTHIF1A
SCHEMBL22639008 0.70 PGK1 (0.41) KDM4EPGK1PGK2PTPN1PTPN5
SCHEMBL4088833 0.70 FDPS (0.48) FDPSMAPTPTGS1PGK1PGK2
SCHEMBL4094823 0.70 FDPS (0.53) FDPSMAPTKDM4EPTGS1PGK1
SCHEMBL29475143 0.69 LMNA (0.50) FDPSCYP1A2LMNANPC1ALDH1A1

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
EP-2723822-B1 AQUEOUS INK, INK CARTRIDGE, AND INK JET RECORDING METHOD CANON KK (JP) 2016-09-07 EP disclosed
CN-103717684-B Aqueous ink, ink cartridge, and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2016-03-09 CN disclosed
US-9238741-B2 Aqueous ink, ink cartridge, and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2016-01-19 US disclosed
US-20140168314-A1 AQUEOUS INK, INK CARTRIDGE, AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2014-06-19 US disclosed
EP-2723822-A1 AQUEOUS INK, INK CARTRIDGE, AND INK JET RECORDING METHOD Canon Kabushiki Kaisha (JP) 2014-04-30 EP disclosed
WO-2013168409-A1 AQUEOUS INK, INK CARTRIDGE, AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2013-11-14 WO disclosed