SCHEMBL5961828

SCHEMBL5961828

CCC(F)Oc1cccc(OC(F)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD1 P21728 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 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
SCHEMBL7101430 0.87 KDM4E (0.48) KDM4EALDH1A1LMNACYP1A2KMT2A
SCHEMBL27576691 0.84 SLC6A4 (0.43) ALDH1A1SLC6A4MTNR1AMTNR1BLMNA
SCHEMBL3824500 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL8221051 0.82 TAAR1 (0.46)
SCHEMBL28265959 0.80 CHRNB2 (0.50) ALDH1A1LMNATSHR
SCHEMBL22952664 0.79 GSK3B (0.48) LMNAMEN1KMT2ATSHR
SCHEMBL11665507 0.76 GPBAR1 (0.55) ALDH1A1GPBAR1CYSLTR1MTNR1AMTNR1B
SCHEMBL17133997 0.75
SCHEMBL5961819 0.75 MTNR1A (0.40) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL1685429 0.74 MTNR1A (0.40) GPBAR1CYSLTR1MTNR1AMTNR1BTP53

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
US-7074523-B2 Lithium secondary battery HITACHI, LTD. (JP) 2006-07-11 US disclosed
US-20040106039-A1 nonaqueous electrolytic solution containing a compound that is oxidized at a voltage > a charge end voltage of the battery and a compound which inhibits reactions at voltages < the charge end voltage ARAI JUICHI (JP) 2004-06-03 US disclosed
US-20030003370-A1 Nonaqueous electrolytic solution containing a compound which is oxidized at a voltage higher than a charge end voltage of the lithium secondary battery and a compound which inhibits reactions at voltages lower than said charge end voltage. HITACHI, LTD. (JP) 2003-01-02 US disclosed
EP-1258939-A2 Lithium secondary battery Hitachi, Ltd. (JP) 2002-11-20 EP disclosed