SCHEMBL8849572

SCHEMBL8849572

CCCCCC(O)c1cccc(/C=C\CCCCBr)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.44
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MTOR P42345 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL8849584 1.00 LTB4R (0.44) LTB4RMAPK1TP53CYP1A2CYP3A4
SCHEMBL8850299 0.89 LTB4R (0.45) LTB4RMAPK1TP53CYP1A2CYP3A4
SCHEMBL8850303 0.89 LTB4R (0.45) LTB4RMAPK1TP53CYP1A2CYP3A4
SCHEMBL8849767 0.88 LTB4R (0.44) LTB4RMAPK1TP53CYP1A2CYP3A4
SCHEMBL8849756 0.88 LTB4R (0.44) LTB4RMAPK1TP53CYP1A2CYP3A4
SCHEMBL8850289 0.83 LTB4R (0.64) LTB4RTP53CYP3A4NFKB1MEN1
SCHEMBL8849559 0.83 LTB4R (0.43) LTB4RMAPK1TP53CYP1A2CYP3A4
SCHEMBL8870066 0.83 LTB4R (0.64) LTB4RTP53CYP3A4NFKB1MEN1
SCHEMBL8849878 0.83 LTB4R (0.64) LTB4RTP53CYP3A4NFKB1MEN1
SCHEMBL8849921 0.83 LTB4R (0.64) LTB4RTP53CYP3A4NFKB1MEN1

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