SCHEMBL8801665

SCHEMBL8801665

COC(=O)CC(OCCCc1ccccc1C(=O)OC)c1ccccc1CCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
DHODH Q02127 1/20 0.41
CYP4A11 Q02928 3/20 0.38
CYP4F2 P78329 2/20 0.38
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC16A3 O15427 3/20 0.34
CYSLTR2 Q9NS75 4/20 0.33
CYSLTR1 Q9Y271 4/20 0.33
HIF1A Q16665 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 0.87 ALDH1A1 (0.41) ALDH1A1LMNADHODHPOLBHSD17B10
SCHEMBL2655008 0.80 ALDH1A1 (0.62) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL5253878 0.80 ALDH1A1 (0.62) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL3554041 0.79 ALDH1A1 (0.64) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL8800306 0.77 ALDH1A1 (0.44) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL383349 0.75 ALDH1A1 (0.66) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL8799647 0.73 CYP4F2 (0.44) ALDH1A1DHODHCYP4A11CYP4F2SLC16A3
SCHEMBL8800299 0.73 LTB4R (0.50) ALDH1A1LMNADHODH
SCHEMBL10499238 0.73 LMNA (0.63) ALDH1A1LMNADHODHCYP4A11CYP4F2
SCHEMBL9120711 0.72 KCNA5 (0.41) ALDH1A1CYP4A11CYP4F2

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