SCHEMBL784813

SCHEMBL784813

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
KCNN4 O15554 1/20 0.47
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL5666953 0.90 KCNN4 (0.47) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL2341249 0.86 CES1 (0.48) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL8032767 0.83 CES1 (0.41) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL19973037 0.82 MAPT (0.47) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL784070 0.81 TSHR (0.53) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL784057 0.79 OPRM1 (0.45) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL783660 0.79 KCNN4 (0.47) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL784101 0.79 KCNN4 (0.47) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL784772 0.78 CES1 (0.42) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL7596041 0.78 CES1 (0.42) CES1KCNN4CYP2C19HIF1ACYP1A2

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 3 patents. 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
CN-100356917-C Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes HOFFMANN LA ROCHE (CH) 2007-12-26 CN disclosed
CN-1509173-A Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes - 2004-06-30 CN disclosed