SCHEMBL15438634

SCHEMBL15438634

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SRC P12931 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
ATM Q13315 1/20 0.33
BTN3A1 O00481 1/20 0.33

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
SCHEMBL15438703 0.80 SRC (0.41) ALDH1A1SRCL3MBTL1TDP1ANPEP
SCHEMBL15438732 0.78 ALDH1A1 (0.41) ALDH1A1SRCL3MBTL1TDP1ANPEP
SCHEMBL15438679 0.76 TSHR (0.40) ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL6050586 0.72 SRC (0.54) ALDH1A1SRCL3MBTL1TDP1KDM4E
SCHEMBL408802 0.72 SRC (0.52) ALDH1A1SRCL3MBTL1TDP1KDM4E
SCHEMBL10928374 0.69 SRC (0.48) ALDH1A1SRCL3MBTL1TDP1KDM4E
Triphenyl Phosphate SCHEMBL11826273 0.68 SRC (0.48) ALDH1A1SRCL3MBTL1TDP1KDM4E
SCHEMBL15438571 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4763229 0.68 SRC (0.41) ALDH1A1SRCL3MBTL1ANPEPLAP3
SCHEMBL13538051 0.67 L3MBTL1 (0.52) ALDH1A1SRCL3MBTL1TDP1KDM4E

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