SCHEMBL784820

SCHEMBL784820

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
F2 P00734 1/20 0.50
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CES1 P23141 2/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A3 Q01959 2/20 0.43
SRC P12931 1/20 0.43
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL17797918 0.90 ELANE (0.49) TSHRTDP1ALDH1A1HSD17B10CYP2D6
SCHEMBL27796550 0.89 PDCD1 (0.53) TSHRTDP1ALDH1A1HSD17B10MAPT
SCHEMBL17797919 0.86 CA1 (0.48) TSHRTDP1ALDH1A1MAPTTP53
SCHEMBL28161590 0.86 CYP2D6 (0.50) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL6937663 0.86 TSHR (0.55) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL22924627 0.84 TSHR (0.57) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL157092 0.82 TSHR (0.46) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL783600 0.82 TSHR (0.59) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL260960 0.81 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL1786261 0.81 TSHR (0.59) TSHRTDP1ALDH1A1HSD17B10LMNA

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