SCHEMBL3716508

SCHEMBL3716508

Cc1[nH]c(COP(=O)(O)O)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 4/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PTGER4 P35408 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL3718102 1.00 SLC2A1 (0.38) SLC2A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL3711185 0.99 SLC2A1 (0.38) SLC2A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL3713064 0.98 SLC2A1 (0.38) SLC2A1S1PR1S1PR3S1PR4S1PR5
Tromethamine SCHEMBL3709545 0.93 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL3723682 0.86 DGAT1 (0.37) S1PR1S1PR3
SCHEMBL3718803 0.85 AR (0.39) SLC2A1PTGER4TRPV1AR
SCHEMBL3110262 0.84 SLC2A1 (0.43) SLC2A1PTGER4MMP2MMP9MMP8
SCHEMBL3561339 0.81 SLC2A1 (0.40) SLC2A1MMP2MMP9MMP8
SCHEMBL4472453 0.80 SLC2A1 (0.58) SLC2A1MMP2MMP9MMP8
Potassium Ion SCHEMBL3713067 0.78 PTGER4 (0.33) SLC2A1S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010094738-A1 PHOSPHATE ESTER OF A 4-PYRIDONE DERIVATIVE AND ITS USE IN THE CHEMOTHERAPY OF PARASITIC INFECTIONS GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed