SCHEMBL15439449

SCHEMBL15439449

C#CCOC(=O)CCP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 1/20 0.44
TSHR P16473 2/20 0.41
GSTP1 P09211 1/20 0.40
KLK8 O60259 2/20 0.39
PLAU P00749 2/20 0.39
KLK2 P20151 2/20 0.39
KLK4 Q9Y5K2 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
SRC P12931 1/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA5A P35218 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 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
SCHEMBL15438584 0.92 ALDH1A1 (0.45) ALDH1A1TAAR1NPC1TSHRGSTP1
SCHEMBL15438815 0.85 NPC1 (0.46) ALDH1A1TAAR1NPC1TSHRGSTP1
SCHEMBL2352701 0.81 SMN1; SMN2 (0.56) ALDH1A1TSHRKLK8PLAUKLK2
SCHEMBL10875989 0.79 ALDH1A1 (0.44) ALDH1A1KLK8PLAUKLK2KLK4
SCHEMBL15438916 0.79 ALDH1A1 (0.49) ALDH1A1TAAR1NPC1TSHRGSTP1
SCHEMBL10878627 0.76 SRC (0.50) KLK8PLAUKLK2KLK4SRC
SCHEMBL5707980 0.76 ALDH1A1 (0.51) ALDH1A1TAAR1NPC1TSHRGSTP1
SCHEMBL10877877 0.75 MGLL (0.53)
SCHEMBL15438085 0.74 NPSR1 (0.51) ALDH1A1TAAR1NPC1TSHRGSTP1
SCHEMBL2980549 0.73 BTN3A1 (0.49) ALDH1A1KLK8PLAUKLK2KLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed