SCHEMBL783559

SCHEMBL783559

CC(=O)OC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL316898 0.82 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL4303183 0.80 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL157054 0.80 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL784660 0.79 ELANE (0.45) MTNR1AMTNR1BALDH1A1GAACYP1A2
SCHEMBL10947140 0.79 ALDH1A1 (0.50) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL783562 0.78 TSHR (0.57) MTNR1AMTNR1BALDH1A1MEN1LMNA
SCHEMBL11578596 0.78 TSHR (0.52) MTNR1AMTNR1BALDH1A1MEN1LMNA
SCHEMBL27892032 0.77 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL17397046 0.77 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL9671455 0.76 TSHR (0.33) MTNR1AMTNR1BALDH1A1CYP3A4GAA

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