SCHEMBL8628947

SCHEMBL8628947

Fc1cccc(OCc2cccc(Oc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAP4K4 O95819 1/20 0.44
GRM5 P41594 2/20 0.43
MAPK1 P28482 1/20 0.43
PPARG P37231 2/20 0.42
NR4A2 P43354 1/20 0.42
FFAR1 O14842 3/20 0.42
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RY1 P47900 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
SCHEMBL8627529 0.94 MAPT (0.53) MAPTL3MBTL1ALDH1A1POLBMRGPRX4
SCHEMBL8627523 0.84 MAPT (0.45) MAPTL3MBTL1ALDH1A1POLBMRGPRX4
SCHEMBL8629313 0.84 MAPT (0.45) MAPTL3MBTL1ALDH1A1POLBMRGPRX4
SCHEMBL8631524 0.82 MAPT (0.47) MAPTL3MBTL1ALDH1A1POLBMRGPRX4
SCHEMBL6613426 0.79 MAPT (0.54) MAPTL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8698390 0.79 MAPT (0.45) MAPTL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8693809 0.79 KMT2A (0.43) MAPTL3MBTL1ALDH1A1POLBMRGPRX4
SCHEMBL8773158 0.78 MAPT (0.65) MAPTL3MBTL1ALDH1A1POLBLMNA
SCHEMBL29607042 0.78 MAPT (0.65) MAPTL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8696729 0.78 GRM5 (0.41) ALDH1A1GRM5PPARGFFAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792872-A2 2,6-substituted pyridine derivatives, their preparation and their use as herbicidal agents American Cyanamid Company (US) 1997-09-03 EP claimed
US-5807804-A CONTROLLING WEEDS AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
US-5710106-A Substituted pyridine herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-01-20 US disclosed
EP-0792872-A2 2,6-substituted pyridine derivatives, their preparation and their use as herbicidal agents American Cyanamid Company (US) 1997-09-03 EP disclosed