SCHEMBL4592870

SCHEMBL4592870

CCOC(=O)CCCNc1ccc(CCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.56
CYP4F2 P78329 4/20 0.56
CYP4Z1 Q86W10 3/20 0.50
CYP4F11 Q9HBI6 1/20 0.50
CYP4F12 Q9HCS2 1/20 0.50
TOP2A P11388 1/20 0.47
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.45
MAPT P10636 2/20 0.44
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PDE5A O76074 1/20 0.42
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7106134 0.93 CYP4F2 (0.66) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL11240378 0.85 CYP4Z1 (0.52) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL5204322 0.85 MAPT (0.59) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL11586777 0.83 CYP4F2 (0.51) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL13159627 0.83 CYP4Z1 (0.58) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL14570539 0.83 TOP2A (0.53) TOP2AGAAMAPTKDM4EALDH1A1
SCHEMBL11244460 0.81 DGKA (0.47)
SCHEMBL11586841 0.81 S1PR1 (0.51) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL11236131 0.81 CYP4F2 (0.56) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL11240733 0.81 CYP4F2 (0.56) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12

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-1430147-A4 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2008-06-25 EP disclosed
EP-1430147-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS Epoch Biosciences, Inc. (US) 2004-06-23 EP disclosed
WO-2002099141-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2002-12-12 WO disclosed