SCHEMBL784411

SCHEMBL784411

CCC(=O)OC(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
OPRM1 P35372 3/20 0.40
KCNH2 Q12809 2/20 0.40
OPRD1 P41143 2/20 0.40
MRGPRX2 Q96LB1 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
RECQL P46063 2/20 0.39
ACHE P22303 1/20 0.39
ALOX15 P16050 1/20 0.38
PPARG P37231 5/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ESR1 P03372 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
SCHEMBL783508 0.86 CES2 (0.41) ELANERECQLALOX15PPARGLMNA
SCHEMBL784043 0.79 ELANE (0.41) ELANEALOX15PPARGLMNAESR1
SCHEMBL28137457 0.78 ELANE (0.40) ELANEOPRM1KCNH2OPRD1MRGPRX2
SCHEMBL8338394 0.76 KMT2A (0.46) RECQLLMNAHIF1ASMN1; SMN2ESR1
SCHEMBL9799566 0.74 ELANE (0.72) ELANERECQLACHEALOX15LMNA
Benzene SCHEMBL28089483 0.74 ELANE (0.72) ELANERECQLACHEALOX15LMNA
SCHEMBL45119 0.74 ELANE (0.72) ELANERECQLACHEALOX15LMNA
SCHEMBL11150049 0.73 OPRM1 (0.48) ELANEOPRM1KCNH2OPRD1MRGPRX2
SCHEMBL3401876 0.73 OPRM1 (0.48) ELANEOPRM1KCNH2OPRD1MRGPRX2
SCHEMBL19928251 0.73 CYP2C19 (0.52) ELANEOPRM1KCNH2OPRD1MRGPRX2

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