SCHEMBL784070

SCHEMBL784070

COC(OC)(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CES1 P23141 2/20 0.53
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HIF1A Q16665 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2341249 0.82 CES1 (0.48) TSHRCES1ALDH1A1MAPTKCNN4
SCHEMBL784813 0.81 CES1 (0.47) TSHRCES1TDP1ALDH1A1HSD17B10
SCHEMBL317794 0.80 TSHR (0.52) TSHRCES1LMNAF2TDP1
SCHEMBL19973037 0.79 MAPT (0.47) TSHRCES1TDP1ALDH1A1HSD17B10
SCHEMBL7596041 0.79 CES1 (0.42) TSHRCES1ALDH1A1MAPTKCNN4
SCHEMBL783600 0.79 TSHR (0.59) TSHRCES1LMNAF2TDP1
SCHEMBL22924627 0.77 TSHR (0.57) TSHRCES1LMNAF2TDP1
SCHEMBL784820 0.77 TSHR (0.57) TSHRCES1LMNAF2TDP1
SCHEMBL783660 0.76 KCNN4 (0.47) TSHRCES1ALDH1A1MAPTKCNN4
SCHEMBL784057 0.76 OPRM1 (0.45) CES1MAPTKCNN4CYP2C19CYP1A2

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-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed