SCHEMBL11053690

SCHEMBL11053690

CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1ccc(CC(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
PPARA Q07869 3/20 0.48
KLK7 P49862 3/20 0.47
KLK5 Q9Y337 2/20 0.47
PPARG P37231 2/20 0.45
ACE P12821 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP1 P29466 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL11058075 0.90 KLK7 (0.52) LTA4HPPARAKLK7KLK5PPARG
SCHEMBL11055126 0.87 LTA4H (0.48) LTA4HPPARAPPARGACEPOLB
SCHEMBL11055112 0.86 PPARA (0.52) LTA4HPPARAKLK7KLK5PPARG
SCHEMBL11055110 0.86 PPARA (0.52) LTA4HPPARAKLK7KLK5PPARG
SCHEMBL11060875 0.86 PPARA (0.52) LTA4HPPARAKLK7KLK5PPARG
SCHEMBL11052311 0.84 KLK7 (0.51) KLK7KLK5MEN1MAPTKMT2A
SCHEMBL13007476 0.84 PPARA (0.55) PPARAKLK7KLK5PPARGACE
SCHEMBL2011835 0.84 PPARA (0.55) PPARAKLK7KLK5PPARGACE
SCHEMBL20253475 0.83 LTA4H (0.58) LTA4HPPARAACEHDAC8CA12
SCHEMBL20253477 0.83 LTA4H (0.69) LTA4HMEN1KMT2AALDH1A1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4467101-A CEPHALOSPORIN PRECURSORS CIBA-GEIGY CORPORATION (US) 1984-08-21 US disclosed
US-4374134-A Cephalosporin compounds with terminal aminocarboxylic acid groupings and anti-bacterial use thereof CIBA-GEIGY CORPORATION (US) 1983-02-15 US disclosed