SCHEMBL15438014

SCHEMBL15438014

CCOP(=O)(CC(=O)Oc1ccc(C(F)(F)F)cc1C(F)(F)F)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CES2 O00748 2/20 0.39
FPR2 P25090 1/20 0.39
POLQ O75417 4/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL17356426 0.88 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9FPR2KDM4E
SCHEMBL17355849 0.88 MRGPRX4 (0.40) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL15438765 0.87 RXRA (0.44) RXRARXRBRXRGCYP2C19CYP1A2
SCHEMBL17355853 0.86 MRGPRX4 (0.42) RXRARXRBRXRGCYP2C19CYP1A2
SCHEMBL17356425 0.86 FFAR1 (0.45) CYP2C19CYP1A2CYP2C9
SCHEMBL17356424 0.85 CYP2C19 (0.39) CYP2C19CYP1A2CYP2C9FPR2KDM4E
SCHEMBL15438184 0.83 PPARG (0.42) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL15439237 0.82 SMN1; SMN2 (0.36) FPR2ALDH1A1HPGDKMT2ANPSR1
SCHEMBL10180243 0.81 RXRA (0.50) RXRARXRBRXRGCYP2C19CYP1A2
SCHEMBL15438237 0.80 KIF11 (0.44) FPR2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed