SCHEMBL784660

SCHEMBL784660

CCC(=O)OC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 2/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
ACHE P22303 1/20 0.39
ESR1 P03372 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL783661 0.86 MTNR1A (0.41) MTNR1AMTNR1BMAPTPPARGPPARA
SCHEMBL974817 0.84 MTNR1A (0.46) ELANEMTNR1AMTNR1BMAPTPPARG
SCHEMBL21976920 0.82 MTNR1A (0.45) ELANEMTNR1AMTNR1BMAPTTSHR
SCHEMBL783559 0.79 MTNR1A (0.47) ELANEMTNR1AMTNR1BMAPTPPARG
SCHEMBL28166480 0.78 ELANE (0.46) ELANEMTNR1AMTNR1BMAPTTSHR
SCHEMBL21976754 0.78 MTNR1A (0.45) ELANEMTNR1AMTNR1BMAPTTSHR
SCHEMBL22474290 0.78 MTNR1A (0.42) ELANEMTNR1AMTNR1BMAPTTSHR
SCHEMBL27867020 0.77 CNR2 (0.42) ELANEPPARGPPARAALDH1A1RECQL
Ethyl Propionate SCHEMBL1868755 0.77 LMNA (0.45) ELANEMTNR1AMTNR1BMAPTTSHR
SCHEMBL21976898 0.76 MAPT (0.42) ELANEMTNR1AMTNR1BMAPTTSHR

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