SCHEMBL8799411

SCHEMBL8799411

COC(=O)c1cccc(CCCOC(Cc2ccccc2CCCCCCO)C(=O)OC)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.61
CYP4F2 P78329 4/20 0.61
DHODH Q02127 2/20 0.41
SLC7A5 Q01650 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
FAAH O00519 1/20 0.40
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.37
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL8799650 0.88 CYP4F2 (0.46) CYP4A11CYP4F2DHODHSLC7A5LOXL2
SCHEMBL8800306 0.84 ALDH1A1 (0.44) CYP4A11CYP4F2DHODHALDH1A1KDM4E
SCHEMBL31752933 0.80 CYP4A11 (0.97) CYP4A11CYP4F2DHODHSLC7A5LOXL2
SCHEMBL9122184 0.79 CYP4F2 (0.36) CYP4A11CYP4F2
SCHEMBL18540811 0.78 CYP4A11 (1.00) CYP4A11CYP4F2DHODHSLC7A5LOXL2
SCHEMBL8800020 0.77 CYP4F2 (0.40) CYP4A11CYP4F2ALDH1A1MAPTRAB9A
SCHEMBL9121580 0.76 CYP4F2 (0.47) CYP4A11CYP4F2SLC7A5FOLH1RAB9A
SCHEMBL5663990 0.75 CYP4A11 (0.91) CYP4A11CYP4F2DHODHSLC7A5LOXL2
SCHEMBL9122509 0.74 ALDH1A1 (0.45) ALDH1A1RAB9A
SCHEMBL8799399 0.73 CYP4A11 (0.61) CYP4A11CYP4F2DHODHLOXL2FAAH

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