SCHEMBL8799647

SCHEMBL8799647

COC(=O)CC(OCCCc1cccc(C(=O)OC)c1)c1ccccc1CCCCCCOS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PRSS1 P07477 1/20 0.36
NR3C1 P04150 1/20 0.35
SLC7A5 Q01650 1/20 0.35
FAAH O00519 1/20 0.35
DHODH Q02127 1/20 0.34
FOLH1 Q04609 1/20 0.34
SLC16A3 O15427 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL8800056 0.86 ALDH1A1 (0.41) DHODHSLC16A3ALDH1A1
SCHEMBL8799650 0.81 CYP4F2 (0.46) CYP4F2CYP4A11F2F10LOXL2
SCHEMBL8799885 0.78 CYP4F2 (0.46) CYP4F2CYP4A11LOXL2FAAH
SCHEMBL8801665 0.73 ALDH1A1 (0.43) CYP4F2CYP4A11DHODHSLC16A3ALDH1A1
SCHEMBL5467067 0.73 CYP4F2 (0.64) CYP4F2CYP4A11LOXL2NR3C1SLC7A5
SCHEMBL9122491 0.72 KCNA5 (0.41) ALDH1A1HPGD
SCHEMBL5464169 0.70 FOLH1 (0.47) CYP4F2CYP4A11FOLH1
SCHEMBL1794739 0.70 CYP4A11 (0.61) CYP4F2CYP4A11LOXL2DHODHALDH1A1
SCHEMBL8732251 0.69 CYP4A11 (0.63) CYP4F2CYP4A11LOXL2DHODHALDH1A1
SCHEMBL8799411 0.69 CYP4A11 (0.61) CYP4F2CYP4A11F2F10LOXL2

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