SCHEMBL8799643

SCHEMBL8799643

COC(=O)c1cccc(CCCOc2ccccc2CC(CCCCCCI)C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
FOLH1 Q04609 2/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PPARG P37231 2/20 0.43
SLC7A5 Q01650 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
FAAH O00519 1/20 0.36
CASR P41180 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL8799325 0.84 ALDH1A1 (0.41) FOLH1PTGESALOX5PPARGALDH1A1
SCHEMBL8798867 0.82 FOLH1 (0.46) FOLH1SLC7A5LOXL2MRGPRX4ALDH1A1
SCHEMBL8464381 0.80 PPARG (0.47) FOLH1PTGESALOX5PPARGALDH1A1
SCHEMBL8799635 0.78 CYP4F2 (0.49) CYP4F2CYP4A11LOXL2FAAH
SCHEMBL8799754 0.75 LTB4R (0.49)
SCHEMBL8799424 0.73 MAPT (0.47) ALDH1A1HPGD
SCHEMBL8799244 0.73 MAPT (0.47) CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL9120998 0.73 FOLH1 (0.53) FOLH1ALDH1A1
SCHEMBL8800191 0.71 PPARG (0.38) FOLH1PTGESALOX5PPARGALDH1A1
SCHEMBL8327593 0.71 PTGER4 (0.62) CYP4F2CYP4A11LOXL2MRGPRX4HPGD

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
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed