SCHEMBL9521115

SCHEMBL9521115

CCCCCCCC[C@@H](O)/C=C/C=C/c1ccccc1OCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
GPR132 Q9UNW8 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.51
FPR2 P25090 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
OXER1 Q8TDS5 1/20 0.49
ALOX5 P09917 1/20 0.48
MAPT P10636 1/20 0.48
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47

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
SCHEMBL9469170 1.00 PPARG (0.53) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9469168 1.00 PPARG (0.53) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9469165 1.00 PPARG (0.53) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9469174 1.00 PPARG (0.53) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9521127 1.00 PPARG (0.53) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9469166 1.00 PPARG (0.53) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9518451 0.97 PPARG (0.55) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9518443 0.97 PPARG (0.55) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9469433 0.91 PTGIR (0.50) PPARGGPR132LTB4R2FPR2NFKB1
SCHEMBL9469434 0.91 PTGIR (0.50) PPARGGPR132LTB4R2FPR2NFKB1

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-0416069-B1 NEW LEUCOTRIENE B 4 DERIVATIVES, A METHOD OF PREPARING THEM, AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-28 EP claimed