SCHEMBL10180243

SCHEMBL10180243

CCC(=O)Oc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
CES2 O00748 2/20 0.47
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLQ O75417 2/20 0.40
ACHE P22303 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 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
SCHEMBL1996213 0.88 ALDH1A1 (0.50) RXRARXRBRXRGCES2CYP2C19
SCHEMBL15765736 0.87 RXRA (0.52) RXRARXRBRXRGCES2CYP2C19
SCHEMBL29024536 0.84 ALOX15 (0.44) RXRARXRBRXRGALOX15KDM4E
SCHEMBL27757330 0.84 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9ALOX15KDM4E
SCHEMBL15453599 0.83 CES2 (0.49) RXRARXRBRXRGCES2CYP2C19
SCHEMBL15763958 0.82 RXRA (0.46) RXRARXRBRXRGCES2CYP2C19
SCHEMBL4981997 0.82 KDM4E (0.62) RXRARXRBRXRGCES2CYP2C19
SCHEMBL28260994 0.82 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9ALOX15KDM4E
SCHEMBL15454581 0.82 CES2 (0.55) RXRARXRBRXRGCES2CYP2C19
SCHEMBL28062602 0.81 CES2 (0.47) RXRARXRBRXRGCES2CYP2C19

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-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