SCHEMBL15034015

SCHEMBL15034015

CC(c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2)c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OGA O60502 1/20 0.30
CYP17A1 P05093 1/20 0.30
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL10020840 0.87 GAA (0.38) GAAMAPTSMN1; SMN2RIPK1ALDH1A1
SCHEMBL10020842 0.80 RIPK1 (0.37) GAAMAPTSMN1; SMN2RIPK1ALDH1A1
SCHEMBL10020839 0.80 RIPK1 (0.37) GAAMAPTSMN1; SMN2RIPK1ALDH1A1
SCHEMBL10020835 0.80 RIPK1 (0.37) GAAMAPTSMN1; SMN2RIPK1ALDH1A1
SCHEMBL10020845 0.80 ALDH1A1 (0.36) GAAMAPTSMN1; SMN2RIPK1ALDH1A1
SCHEMBL10020848 0.77 GAA (0.33) GAAMAPTSMN1; SMN2RIPK1
SCHEMBL10052091 0.77 RIPK1 (0.34) GAAMAPTSMN1; SMN2RIPK1
SCHEMBL13771754 0.75 MAPT (0.41) GAAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17481222 0.74 MAPT (0.40) GAAMAPTSMN1; SMN2RIPK1ALDH1A1
SCHEMBL10020832 0.73 RIPK1 (0.37) GAAMAPTSMN1; SMN2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157168-A1 COMPOSITION, COMPOSITE PREPARED FROM THE COMPOSITION, ELECTRODE AND ELECTROLYTE MEMBRANE FOR FUEL CELL EACH INCLUDING THE SAME, METHOD OF PREPARING THE ELECTROLYTE MEMBRANE, AND FUEL CELL INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-06-20 US disclosed