SCHEMBL12833362

SCHEMBL12833362

Nc1ccc(OC2(F)C(F)(F)C(F)(F)C2(F)C2CCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.37
CYP19A1 P11511 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TBXAS1 P24557 1/20 0.32
NSD2 O96028 1/20 0.32
MAPK1 P28482 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
SCHEMBL9549817 0.78 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL31738490 0.74 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL12833379 0.67 TDP1 (0.38) NFE2L2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL29083172 0.65 TDP1 (0.44) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8187277 0.63
SCHEMBL747626 0.63 PARP10 (0.55) NFE2L2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL26012610 0.61 PARP10 (0.53) NFE2L2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL623629 0.61 PARP10 (0.53) NFE2L2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL11447126 0.61 ALDH1A1 (0.39) NFE2L2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL25283157 0.60 MAPT (0.50) TDP1ALDH1A1CYP3A4TSHRMAPK1

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
US-7897693-B2 Proton conductive polymer electrolytes and fuel cells GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2011-03-01 US disclosed
US-20090281262-A1 PROTON CONDUCTIVE POLYMER ELECTROLYTES AND FUEL CELLS GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2009-11-12 US disclosed