SCHEMBL27872809

SCHEMBL27872809

CC(C)(C)OC(=O)NC(CC(=CCCOCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.63
PPARG P37231 5/20 0.58
CTSS P25774 4/20 0.52
ACE P12821 1/20 0.48
PPARD Q03181 2/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
PTPN1 P18031 4/20 0.42
CDC25B P30305 4/20 0.42
PTPN2 P17706 3/20 0.42
CDC25A P30304 2/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL12521814 1.00 PPARA (0.63) PPARAPPARGCTSSACEPPARD
SCHEMBL15025553 0.88 PPARA (0.55) PPARAPPARGCTSSACECTSK
SCHEMBL1907575 0.88 PPARA (0.55) PPARAPPARGCTSSACECTSK
SCHEMBL12230956 0.82 PPARA (0.60) PPARAPPARGCTSSACEPPARD
SCHEMBL12231057 0.82 PPARA (0.60) PPARAPPARGCTSSACEPPARD
SCHEMBL12230957 0.82 PPARA (0.60) PPARAPPARGCTSSACEPPARD
SCHEMBL955526 0.82 PPARA (0.74) PPARAPPARGCTSSACEPPARD
SCHEMBL20899650 0.82 PPARA (0.82) PPARAPPARGCTSSACEPPARD
SCHEMBL955527 0.82 PPARA (0.74) PPARAPPARGCTSSACEPPARD
SCHEMBL1312604 0.82 PPARA (0.74) PPARAPPARGCTSSACEPPARD

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
CN-102712552-B Method for production of F-18 labeled glutamic acid derivatives Bayer Pharma AG 2015-07-22 CN disclosed
CN-102712552-A Method for production of F-18 labeled glutamic acid derivatives BAYER SCHERING PHARMA AG 2012-10-03 CN disclosed