SCHEMBL11060875

SCHEMBL11060875

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.52
PPARG P37231 4/20 0.48
CTSS P25774 3/20 0.47
SYK P43405 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
CASP1 P29466 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
ENPP2 Q13822 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL11055112 1.00 PPARA (0.52) PPARAPPARGCTSSSYKALDH1A1
SCHEMBL11055110 1.00 PPARA (0.52) PPARAPPARGCTSSSYKALDH1A1
SCHEMBL11058075 0.88 KLK7 (0.52) PPARAPPARGCTSSSYKALDH1A1
SCHEMBL11053690 0.86 LTA4H (0.55) PPARAPPARGCTSSSYKALDH1A1
SCHEMBL11054323 0.86 PTGDR2 (0.46) PPARAPPARGCTSSKDM4EMAPT
SCHEMBL11055166 0.86 PTGDR2 (0.46) PPARAPPARGCTSSKDM4EMAPT
SCHEMBL11054321 0.86 PTGDR2 (0.46) PPARAPPARGCTSSKDM4EMAPT
SCHEMBL29142984 0.86 L3MBTL1 (0.59) PPARAPPARGSYKALDH1A1MAPK1
SCHEMBL11058169 0.85 PPARA (0.48) PPARAPPARGCTSSSYKMAPK1
SCHEMBL11058162 0.85 PPARA (0.48) PPARAPPARGCTSSSYKMAPK1

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