SCHEMBL8544679

SCHEMBL8544679

O=C(O)COc1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALOX15 P16050 1/20 0.56
F2 P00734 1/20 0.52
PTPN7 P35236 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA4 P22748 3/20 0.49
CA9 Q16790 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
PLA2G4B P0C869 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL7332517 0.84 F2 (0.54) LMNAALOX15F2PTPN7ALDH1A1
SCHEMBL7327550 0.84 TDP1 (0.53) LMNAALOX15F2PTPN7ALDH1A1
SCHEMBL7333897 0.82 F2 (0.59) LMNAALOX15F2PTPN7CA12
SCHEMBL413254 0.82 LMNA (0.81) LMNAALOX15PTPN7ALDH1A1MAPK1
SCHEMBL9354238 0.80 LMNA (0.58) LMNAALOX15PTPN7CA12CA1
SCHEMBL7334463 0.79 LMNA (0.67) LMNAALOX15SMN1; SMN2MAPK1
SCHEMBL7324955 0.78 FAAH (0.50) LMNACA12CA1CA2CA4
SCHEMBL20915130 0.78 CA2 (0.60) LMNAALOX15PTPN7CA12CA1
SCHEMBL6733331 0.77 ALOX15 (0.50) LMNAALOX15PTPN7CA12CA1
SCHEMBL8782313 0.77 LMNA (0.69) LMNAALOX15PTPN7ALDH1A1SMN1; SMN2

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed