SCHEMBL7078263

SCHEMBL7078263

Fc1ccccc1OCc1cc(OCc2ccccc2)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.51
NPC1 O15118 2/20 0.45
KDM1A O60341 2/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
PTGES O14684 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALOX5 P09917 1/20 0.41
STAT3 P40763 2/20 0.41
HTT P42858 2/20 0.41
PTGER1 P34995 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4267531 0.82 MRGPRX4 (0.63) MRGPRX4NPC1KDM1AMAPTL3MBTL1
SCHEMBL4431406 0.80 MRGPRX4 (0.50) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL13132257 0.80 MRGPRX4 (0.47) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6041334 0.80 MRGPRX4 (0.47) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL27502561 0.79 MRGPRX4 (0.44) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL1128474 0.76 ALOX5 (0.55) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL29754139 0.76 ALOX5 (0.55) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL29568609 0.76 MRGPRX4 (0.67) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL27629 0.76 MRGPRX4 (0.67) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL12154961 0.75 MRGPRX4 (0.48) MRGPRX4NPC1MAPTSMN1; SMN2L3MBTL1

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed