SCHEMBL16865185

SCHEMBL16865185

C=C(C)C(=O)OCCOC(=O)C1CC1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.44
ALDH1A1 P00352 5/20 0.43
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 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
SCHEMBL14944772 0.91 THRB (0.55) THRBTSHRALDH1A1CA1CA2
SCHEMBL14279357 0.86 THRB (0.41) THRBTSHRALDH1A1CA1CA2
SCHEMBL14306512 0.86 THRB (0.41) THRBTSHRALDH1A1CA1CA2
SCHEMBL16865161 0.84 POLB (0.42) ALDH1A1POLBTDP1KDM4ENPC1
SCHEMBL208911 0.84 THRB (0.52) THRBTSHRALDH1A1CA1CA2
SCHEMBL10040737 0.81 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL10040880 0.81 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL10040879 0.81 THRB (0.46) THRBTSHRALDH1A1CA1CA2
SCHEMBL9161641 0.80 THRB (0.71) THRBTSHRALDH1A1CA1CA2
SCHEMBL18101452 0.80 THRB (0.71) THRBTSHRALDH1A1CA1CA2

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-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed