SCHEMBL2161774

SCHEMBL2161774

O=COCC(OC(=O)C1CCC1)C(COC(=O)C1CCC1)OC(=O)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL2161806 0.97 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2161830 0.95 ADRB2 (0.40) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL2160941 0.94 ADRB2 (0.34) ADRB2ADRB1ADRB3
SCHEMBL812981 0.76 ADRB2 (0.44) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL9436624 0.76 ADRB2 (0.44) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL16217646 0.76 ADRB2 (0.44) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL16217648 0.74 ADRB2 (0.43) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL845361 0.71 ALDH1A1 (0.40) ADRB2ADRB1ADRB3HTTKMT2A
SCHEMBL208241 0.69 ADRB2 (0.47) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL845299 0.69 ALDH1A1 (0.42) ADRB2ADRB1ADRB3KMT2ASMN1; 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 2 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
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed