SCHEMBL2160506

SCHEMBL2160506

CC(COC=O)(COC(=O)C1CCCC1)COC(=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ALDH1A1 P00352 10/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
MDM2 Q00987 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 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
SCHEMBL2161061 0.98 ALDH1A1 (0.43) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL2161527 0.97 ADRB2 (0.39) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL2160653 0.93 NPC1 (0.37) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL2160947 0.81 ALDH1A1 (0.42) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL2161090 0.80 ALDH1A1 (0.44) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL10099682 0.80 ALDH1A1 (0.46) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL2161146 0.78 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL15024419 0.78 ALDH1A1 (0.51) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL10099680 0.78 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL12306236 0.77 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2

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
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed