SCHEMBL784043

SCHEMBL784043

CC(=O)OC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ALOX15 P16050 1/20 0.38
PPARG P37231 1/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL20180651 0.82 ALDH1A1 (0.40) ELANEALDH1A1MAPTHSP90AA1GAA
SCHEMBL784411 0.79 ELANE (0.45) ELANEALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL7036896 0.79 ALDH1A1 (0.40) ELANEALDH1A1MAPTHSP90AA1GAA
SCHEMBL784690 0.78 LMNA (0.50) ALDH1A1MAPTLMNATSHRNAPRT
SCHEMBL784644 0.76 CYP1A2 (0.41) ELANEALDH1A1MAPTALOX15PPARG
SCHEMBL784065 0.76 CES1 (0.41) ALDH1A1ALOX15TSHRHSD17B10CYP1A2
SCHEMBL783508 0.76 CES2 (0.41) ELANEALDH1A1MAPTALOX15PPARG
SCHEMBL783624 0.75 ATM (0.38) ALDH1A1ALOX15PPARGKDM4EHPGD
SCHEMBL7089314 0.74 LTA4H (0.50) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL13072375 0.72 PPARA (0.50) ALDH1A1MAPTPPARGCYP3A4KDM4E

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