SCHEMBL784101

SCHEMBL784101

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
CES1 P23141 4/20 0.43
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.36
ACHE P22303 2/20 0.36
CES2 O00748 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL783660 0.82 KCNN4 (0.47) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL2341249 0.81 CES1 (0.48) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL784813 0.79 CES1 (0.47) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL12117853 0.78 KCNN4 (0.46) KCNN4CES1CYP2C19HIF1APTPN1
SCHEMBL19973037 0.78 MAPT (0.47) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL7737510 0.78 ALDH1A1 (0.50) KCNN4CES1CYP2C19HIF1APTPN1
SCHEMBL784772 0.77 CES1 (0.42) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL10857550 0.77 KCNN4 (0.44) KCNN4CES1CYP2C19HIF1APTPN1
SCHEMBL784070 0.76 TSHR (0.53) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL4504520 0.76 KCNN4 (0.42) KCNN4CES1CYP2C19HIF1APTPN1

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