SCHEMBL10179758

SCHEMBL10179758

O=C(Oc1cccc(F)c1)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PARP1 P09874 1/20 0.40
ATM Q13315 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
NR4A2 P43354 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL29699726 0.84 HPGD (0.49) ESR1ESR2PPARGPPARAHPGD
SCHEMBL5199329 0.84 HPGD (0.49) ESR1ESR2PPARGPPARAHPGD
SCHEMBL1827702 0.82 HPGD (0.48) ESR1ESR2PPARGPPARAHPGD
SCHEMBL5504728 0.81 HPGD (0.47) ESR1ESR2PPARGPPARAHPGD
SCHEMBL10179527 0.80 CYP4F2 (0.42) PPARGPPARACES2CES1
SCHEMBL5487011 0.80 ESR1 (0.54) ESR1ESR2PPARGPPARAHPGD
SCHEMBL15134857 0.80 KMT2A (0.51) NPC1RAB9ANPSR1MEN1KMT2A
SCHEMBL20296798 0.80 OGG1 (0.46) PPARGNPSR1MEN1KMT2AALDH1A1
SCHEMBL28381698 0.80 CES2 (0.50) ESR1ESR2MEN1KMT2ACES2
SCHEMBL17004183 0.79 ESR1 (0.53) ESR1ESR2PPARGPPARAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed