SCHEMBL784690

SCHEMBL784690

O=C(OC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
TDP1 Q9NUW8 5/20 0.47
TSHR P16473 4/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 5/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28706308 0.85 LMNA (0.61) LMNAF2TDP1TSHRMAPK1
SCHEMBL784043 0.78 ELANE (0.41) LMNAF2TDP1TSHRALDH1A1
SCHEMBL783600 0.78 TSHR (0.59) LMNAF2TDP1TSHRMAPK1
SCHEMBL784644 0.74 CYP1A2 (0.41) TDP1MAPK1ALDH1A1HSD17B10MAPT
SCHEMBL784065 0.74 CES1 (0.41) TSHRALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL28898522 0.74 LMNA (0.58) LMNAF2TDP1TSHRMAPK1
SCHEMBL783624 0.73 ATM (0.38) TDP1TSHRMAPK1HIF1AALDH1A1
SCHEMBL784759 0.73 CYP2D6 (0.51) LMNAF2TDP1TSHRMAPK1
SCHEMBL784411 0.73 ELANE (0.45) LMNAHIF1AALDH1A1MAPTL3MBTL1
SCHEMBL260960 0.72 TDP1 (0.64) LMNAF2TDP1TSHRMAPK1

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