SCHEMBL1119409

SCHEMBL1119409

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[CH]c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
NFE2L2 Q16236 4/20 0.33
TSHR P16473 2/20 0.33
MAOB P27338 2/20 0.33
CYP2A6 P11509 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM4 Q14833 1/20 0.32
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL1119516 0.98 LMNA (0.33) ALDH1A1NFE2L2TSHRMAOBCYP2A6
SCHEMBL5669653 0.93 ALDH1A1 (0.35) ALDH1A1NFE2L2TSHRMAOBCYP2A6
SCHEMBL5670111 0.83 ALDH1A1 (0.38) ALDH1A1NFE2L2TSHRMAOBCYP2A6
SCHEMBL5352063 0.78 MAOB (0.41) ALDH1A1NFE2L2TSHRMAOBLMNA
SCHEMBL10522046 0.78 MAOB (0.41) ALDH1A1NFE2L2TSHRMAOBLMNA
SCHEMBL9222592 0.77 MAOB (0.39) ALDH1A1NFE2L2TSHRMAOBLMNA
SCHEMBL67469 0.72 ALDH1A1 (0.41) ALDH1A1NFE2L2TSHRMAOBCYP2A6
SCHEMBL10415151 0.71 MAOB (0.42) ALDH1A1NFE2L2TSHRMAOBLMNA
SCHEMBL10415153 0.71 MAOB (0.42) ALDH1A1NFE2L2TSHRMAOBLMNA
SCHEMBL18243166 0.69 RXRA (0.38) ALDH1A1TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280706-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES Otsuka Pharmaceutical Factory, Inc. (JP) 2011-02-09 EP disclosed
WO-2009139076-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2009-11-19 WO disclosed