SCHEMBL7094322

SCHEMBL7094322

C=COC(=O)COCCOCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 6/20 0.42
ALDH1A1 P00352 5/20 0.42
THRB P10828 2/20 0.41
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CES2 O00748 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5144579 0.98 TDP1 (0.41) TDP1TSHRALDH1A1THRBHSD17B10
Acetic Acid SCHEMBL27705202 0.93 ALDH1A1 (0.41) TDP1TSHRALDH1A1THRBHSD17B10
SCHEMBL9439268 0.90
SCHEMBL14827534 0.89 TDP1 (0.44) TDP1TSHRALDH1A1HSD17B10TP53
SCHEMBL328720 0.87 ALDH1A1 (0.43) TDP1TSHRALDH1A1HSD17B10TP53
SCHEMBL18746205 0.86 TDP1 (0.43) TDP1TSHRALDH1A1THRBHSD17B10
SCHEMBL2571406 0.84 ALDH1A1 (0.42) TDP1TSHRALDH1A1THRBHSD17B10
SCHEMBL2293338 0.84 TDP1 (0.42) TDP1TSHRALDH1A1HSD17B10TP53
SCHEMBL13111366 0.82 ALDH1A1 (0.41) TDP1TSHRALDH1A1THRBHSD17B10
SCHEMBL194073 0.82 TSHR (0.46) TDP1TSHRALDH1A1CES2HPGD

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
EP-1339127-A1 SOLID POLYMER ELECTROLYTE AND CELL CONTAINING THE ELECTROLYTE DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-08-27 EP disclosed