SCHEMBL10180796

SCHEMBL10180796

O=C(Oc1cccc(F)c1F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
BCHE P06276 1/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 2/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A4 P14672 1/20 0.35
ELANE P08246 1/20 0.34
HPGD P15428 1/20 0.33
GRM2 Q14416 2/20 0.32
PARP10 Q53GL7 1/20 0.32
CXCL8 P10145 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL10181532 0.86 CES2 (0.42) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL10182173 0.86 FAAH (0.42) CES2CES1KMT2AELANEHPGD
SCHEMBL24901188 0.85 CES2 (0.39) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL10179556 0.84 CES2 (0.38) CES2CES1
SCHEMBL20368796 0.81 ELANE (0.54) CES2CES1BCHEKMT2AELANE
SCHEMBL10179857 0.80 KMT2A (0.41) CES2CES1BCHEKMT2ASLC2A1
SCHEMBL10180642 0.76 CES2 (0.40) CES2CES1KMT2AMAPT
SCHEMBL10179830 0.76 TSHR (0.45) CES2CES1KMT2AHPGDMAPT
SCHEMBL10179988 0.76 CES2 (0.40) CES2CES1
SCHEMBL6966438 0.76 CES2 (0.47) CES2CES1BCHESLC6A2SLC6A4

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