SCHEMBL1354465

SCHEMBL1354465

CCCCCC(C)(C)c1ccccc1OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
INPPL1 O15357 1/20 0.40
INPP5B P32019 1/20 0.40
INPP5A Q14642 1/20 0.40
SMPD1 P17405 3/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CETP P11597 4/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
GGPS1 O95749 3/20 0.37
FDPS P14324 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
SCHEMBL2719418 0.90 INPPL1 (0.43) INPPL1INPP5BINPP5ASRCKDM4E
SCHEMBL28094950 0.84 INPPL1 (0.39) INPPL1INPP5BINPP5ASMPD1SRC
SCHEMBL18114067 0.84 INPPL1 (0.43) INPPL1INPP5BINPP5ASRCKDM4E
SCHEMBL27859933 0.83 INPPL1 (0.46) INPPL1INPP5BINPP5ASRCKDM4E
SCHEMBL1354464 0.82 INPPL1 (0.44) INPPL1INPP5BINPP5ASRCKDM4E
SCHEMBL8891131 0.80 CNR2 (0.45) CNR1CNR2
SCHEMBL29134153 0.79 CNR2 (0.44) CNR1CNR2HTR2B
SCHEMBL7622742 0.78 PTGS2 (0.52) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL8155433 0.78 THRA (0.43) SMPD1CETPHTR2AHTR2CHTR2B
SCHEMBL9807566 0.78 FDPS (0.40) SMPD1CETPGGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863698-A MIXING COLORANT COMPRISING PHOSPHATE-CONTAINING SURFACTANT, LATEX EMULSION, HEATING, STABILIZING XEROX CORPORATION (US) 1999-01-26 US claimed
US-8303768-B2 Method of monitoring and inhibiting scale deposition in pulp mill evaporators and concentrators NALCO COMPANY (US) 2012-11-06 US disclosed
US-20110277948-A1 METHOD OF MONITORING AND INHIBITING SCALE DEPOSITION IN PULP MILL EVAPORATORS AND CONCENTRATORS NALCO COMPANY 2011-11-17 US disclosed
US-7985318-B2 Thermoconductive measurement; adding antiscaling agent such as acrylic-maleic acid copolymer, ethylene-vinyl acetate-methacrylic acid terpolymer, linseed oil-maleic anhydride copolymer crosslinked with pentaerythritol; amides, esters, acids, sulfonic acids, amines, or anhydrides to black liquor NALCO COMPANY (US) 2011-07-26 US disclosed
EP-2142699-A1 METHOD OF MONITORING AND INHIBITING SCALE DEPOSITION IN PULP MILL EVAPORATORS AND CONCENTRATORS Nalco Company (US) 2010-01-13 EP disclosed
WO-2008141121-A1 METHOD OF MONITORING AND INHIBITING SCALE DEPOSITION IN PULP MILL EVAPORATORS AND CONCENTRATORS NALCO COMPANY (US) 2008-11-20 WO disclosed
US-20080277083-A1 METHOD OF MONITORING AND INHIBITING SCALE DEPOSITION IN PULP MILL EVAPORATORS AND CONCENTRATORS ECOLAB USA INC. 2008-11-13 US disclosed
EP-0021626-B1 SALTS OF PHOSPHORIC ACID DIESTERS, THEIR PREPARATION AND USE IN MEMBRANES, THE MEMBRANES AND THEIR USE IN CALCIUM ION DETERMINATION, AND THE ELECTRODES CONTAINING THEM BECKMAN INSTRUMENTS, INC. (US) 1984-01-18 EP disclosed
US-4369317-A CALCIUM ION SELECTIVE MEMBRANE BECKMAN INSTRUMENTS, INC. (US) 1983-01-18 US disclosed
US-4338440-A CALCIUM ION SELECTIVE MEMBRANE COMPONENT BECKMAN INSTRUMENTS, INC. (US) 1982-07-06 US disclosed
US-4271002-A Calcium ion-selective electrodes and membrane for use therein BECKMAN INSTRUMENTS, INC. (US) 1981-06-02 US disclosed
EP-0021626-A1 Salts of phosphoric acid diesters, their preparation and use in membranes, the membranes and their use in calcium ion determination, and the electrodes containing them BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP disclosed