SCHEMBL15438170

SCHEMBL15438170

C#CCOC(=O)CP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
USP2 O75604 1/20 0.53
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15438564 0.86 POLB (0.41) POLBUSP2NPC1ALDH1A1TAAR1
SCHEMBL15438916 0.84 ALDH1A1 (0.49) POLBUSP2NPC1ALDH1A1TAAR1
SCHEMBL15439132 0.84 GAA (0.54) POLBUSP2NPC1ALDH1A1TAAR1
SCHEMBL15438085 0.82 NPSR1 (0.51) POLBUSP2NPC1ALDH1A1TAAR1
SCHEMBL15438815 0.78 NPC1 (0.46) NPC1ALDH1A1TAAR1TSHRRECQL
SCHEMBL9857140 0.74 PKM (0.64) POLBUSP2ALDH1A1HTTTSHR
SCHEMBL5076070 0.74 POLB (1.00) POLBUSP2ALDH1A1HTTGAA
SCHEMBL15438648 0.74 POLB (0.58) POLBUSP2ALDH1A1HTTTSHR
SCHEMBL15438675 0.74 POLB (0.58) POLBUSP2ALDH1A1HTTTSHR
SCHEMBL28050464 0.74 GAA (0.45) POLBUSP2NPC1ALDH1A1TAAR1

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