SCHEMBL2012748

SCHEMBL2012748

Fc1cc(F)c(-c2ccccc2OCc2cccc(CBr)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.48
MRGPRX4 Q96LA9 3/20 0.43
MAOB P27338 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
GYS1 P13807 1/20 0.37
KDM1A O60341 2/20 0.36
BRD4 O60885 2/20 0.36

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
SCHEMBL2013215 0.88 MRGPRX4 (0.46) PTGER1MRGPRX4MAOBSGMS2L3MBTL1
SCHEMBL2012939 0.87 GYS1 (0.48) PTGER1MRGPRX4MAOBLMNAGYS1
SCHEMBL2012370 0.78 GYS1 (0.52) MAOBGYS1
SCHEMBL15309708 0.73 MAPT (0.51) MRGPRX4L3MBTL1MAPTMAPK1TDP1
SCHEMBL12600498 0.73 MRGPRX4 (0.60) MRGPRX4L3MBTL1MAPTMAPK1TDP1
SCHEMBL1774820 0.72 MRGPRX4 (0.61) MRGPRX4L3MBTL1LMNAMAPTTDP1
SCHEMBL2012745 0.71 GYS1 (0.39) MRGPRX4MAOBMAPTGYS1KDM1A
SCHEMBL15309905 0.71 ABCB1 (0.50) MRGPRX4L3MBTL1LMNAMAPTMAPK1
SCHEMBL13739157 0.71 RXRA (0.59) PTGER1MAOBL3MBTL1MAPTMAPK1
SCHEMBL31139252 0.70 MRGPRX4 (0.52) MRGPRX4MAOBMAPT

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
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed