SCHEMBL15438633

SCHEMBL15438633

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.41
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
RECQL P46063 1/20 0.39
SRC P12931 1/20 0.39
KLK1 P06870 1/20 0.38
PRTN3 P24158 1/20 0.38
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
CA5B Q9Y2D0 3/20 0.37
TP53 P04637 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
SCHEMBL15438731 0.83 TSHR (0.42) ELANENPC1TSHRRECQLSRC
SCHEMBL15438702 0.83 NPC1 (0.44) ELANENPC1TSHRRECQLSRC
SCHEMBL24225368 0.82 ELANE (0.49) ELANENPC1TSHRANPEPLAP3
SCHEMBL15438677 0.79 NPC1 (0.46) NPC1TSHRRECQLCA12CA1
SCHEMBL25591711 0.79 ELANE (0.51) ELANEANPEPLAP3RECQLSRC
SCHEMBL29012567 0.75 SRC (0.48) ELANEANPEPLAP3RECQLSRC
SCHEMBL15438527 0.75 ACHE (0.38) NPC1TSHR
SCHEMBL15438815 0.74 NPC1 (0.46) NPC1TSHRRECQLSRCCA12
SCHEMBL15438417 0.72 ACHE (0.36) NPC1TSHR
SCHEMBL15439449 0.71 ALDH1A1 (0.47) NPC1TSHRRECQLSRCCA12

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