SCHEMBL14914905

SCHEMBL14914905

CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].c1ccc([Sn+2]c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 6/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
AKR1C3 P42330 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 2/20 0.32
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
Acetic Acid SCHEMBL1140944 0.83 CA2 (0.42) TDP1GLAMAPTKMT2AGAA
Toluene SCHEMBL16280030 0.78 LMNA (0.44) TDP1GLAMAPTKMT2AKDM4E
SCHEMBL384455 0.78 CA2 (0.38) TDP1GLAMAPTKMT2AGAA
SCHEMBL384453 0.78 CA2 (0.38) TDP1GLAMAPTKMT2AGAA
SCHEMBL1024874 0.76 CA1 (0.44) TDP1MAPTKMT2AKDM4EGAA
Benzil SCHEMBL657884 0.76 CES2 (0.52) MAPTKMT2ACA2CA4CES2
Fumaric Acid SCHEMBL383745 0.75 CA2 (0.39) TDP1GLAMAPTCA2CA4
Fumaric Acid SCHEMBL383748 0.75 CA2 (0.39) TDP1GLAMAPTCA2CA4
Hydrogen Peroxide SCHEMBL2497095 0.73 CA1 (0.41) KDM4ECA4ALDH1A1
Hydrogen Peroxide SCHEMBL2492041 0.73 CA1 (0.41) KDM4ECA4ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130115520-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL ELEMENT UTILIZING SAME UBE INDUSTRIES, LTD. (JP) 2013-05-09 US disclosed