SCHEMBL784772

SCHEMBL784772

COC(OC)(OC(=O)C(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.42
KCNN4 O15554 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.35
EDNRB P24530 5/20 0.35
EDNRA P25101 5/20 0.35
NR1I2 O75469 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2341249 0.80 CES1 (0.48) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL784813 0.78 CES1 (0.47) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL784101 0.77 KCNN4 (0.47) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL19973037 0.77 MAPT (0.47) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL784070 0.75 TSHR (0.53) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL783660 0.74 KCNN4 (0.47) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL784057 0.74 OPRM1 (0.45) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL8032767 0.74 CES1 (0.41) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL7596041 0.72 CES1 (0.42) CES1KCNN4CYP1A2CYP2D6KMT2A
SCHEMBL29733637 0.72 KCNN4 (0.46) CES1KCNN4CYP1A2CYP2D6KMT2A

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