SCHEMBL8580291

SCHEMBL8580291

COC(=O)C(O)[C@H](N)Cc1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
MME P08473 1/20 0.48
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LAP3 P28838 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
NR1H4 Q96RI1 2/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ANPEP P15144 1/20 0.41
SRR Q9GZT4 1/20 0.41
PSAT1 Q9Y617 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
SCHEMBL8580037 0.86 LTA4H (0.54) LTA4HMME
SCHEMBL8581213 0.86 LTA4H (0.54) LTA4HMME
SCHEMBL10198479 0.86 LTA4H (0.54) LTA4HMME
SCHEMBL2873427 0.86 LTA4H (0.54) LTA4HMME
SCHEMBL539481 0.86 PPARG (0.52) PPARGPPARAMMEPOLBHDAC1
Hydrochloric Acid SCHEMBL2873425 0.85 LTA4H (0.53) LTA4HMME
Hydrochloric Acid SCHEMBL2873423 0.85 LTA4H (0.53) LTA4HMME
Hydrochloric Acid SCHEMBL539480 0.85 PPARG (0.51) PPARGPPARAMMEPOLBHDAC1
Hydrochloric Acid SCHEMBL539482 0.85 PPARG (0.51) PPARGPPARAMMEPOLBHDAC1
SCHEMBL8174333 0.78 LTA4H (0.77) LTA4HHSD17B10LAP3ANPEP

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-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed