SCHEMBL8849692

SCHEMBL8849692

CCCCCC(O)c1cccc(C=CCCCC(=O)OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.49
PPARG P37231 5/20 0.48
PPARA Q07869 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 1/20 0.44
FPR2 P25090 4/20 0.43
ALDH1A1 P00352 2/20 0.42
MTOR P42345 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PLIN1 O60240 1/20 0.42
GAA P10253 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
SCHEMBL8849684 1.00 LTB4R (0.49) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8849953 0.88 LTB4R (0.62) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8849939 0.88 LTB4R (0.62) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8772138 0.86 LTB4R (0.52) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8772243 0.86 LTB4R (0.52) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8772239 0.86 LTB4R (0.52) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL9626537 0.83 NFKB1 (0.49) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8870460 0.82 LTB4R (0.45) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8870668 0.79 LTB4R (0.50) LTB4RPPARGPPARANFKB1NFKB2
SCHEMBL8870701 0.79 LTB4R (0.50) LTB4RPPARGPPARANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650953-B1 Cyclised analogs of metabolites of fatty acids, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-06-04 EP disclosed
US-5599975-A ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed
EP-0650953-A1 Cyclised analogs of metabolites of fatty acids, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-05-03 EP disclosed