SCHEMBL16710952

SCHEMBL16710952

C=C(O)C(=O)OCCCCCCOC(=O)C(=C)OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
NAAA Q02083 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31
ACHE P22303 4/20 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
SCHEMBL16710953 0.98 TSHR (0.46) TSHRTDP1HTTPOLBAPEX1
SCHEMBL16708650 0.87 TSHR (0.65) TSHRTDP1HTTPOLBAPEX1
SCHEMBL16710954 0.86 THRB (0.38) TSHRTDP1HSD17B10ALDH1A1THRB
SCHEMBL5421667 0.86 TSHR (0.68) TSHRNAAAALDH1A1LMNAHCAR2
SCHEMBL5418608 0.86 TSHR (0.68) TSHRNAAAALDH1A1LMNAHCAR2
SCHEMBL16708644 0.85 TSHR (0.61) TSHRTDP1HTTPOLBAPEX1
SCHEMBL5411939 0.81 ALDH1A1 (0.57) TSHRTDP1HTTPOLBAPEX1
SCHEMBL6248966 0.81 TSHR (0.45) TSHRTDP1HTTPOLBAPEX1
SCHEMBL5027284 0.77 TSHR (0.46) TSHRTDP1NAAAHSD17B10ALDH1A1
SCHEMBL16708652 0.77 THRB (0.57) TSHRTDP1HTTPOLBAPEX1

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