SCHEMBL16708644

SCHEMBL16708644

C=C(C)C(=O)OCCCCOC(=O)C(=C)OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
THRB P10828 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 5/20 0.38
NAAA Q02083 1/20 0.34
CYP3A4 P08684 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16708650 0.98 TSHR (0.65) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16708652 0.92 THRB (0.57) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16708632 0.87 THRB (0.52) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16708651 0.87 THRB (0.61) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16710953 0.87 TSHR (0.46) TSHRTHRBTDP1POLBAPEX1
SCHEMBL25426 0.85 TSHR (0.79) TSHRTHRBTDP1POLBAPEX1
SCHEMBL5144090 0.85 TSHR (0.79) TSHRTHRBTDP1POLBAPEX1
SCHEMBL5421667 0.85 TSHR (0.68) TSHRALDH1A1NAAALMNARAD52
SCHEMBL5418608 0.85 TSHR (0.68) TSHRALDH1A1NAAALMNARAD52
SCHEMBL16710952 0.85 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1

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-20150132639-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed