SCHEMBL5069848

SCHEMBL5069848

COC(CCCCN)C(O)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.38
KCNH2 Q12809 2/20 0.38
SLC7A5 Q01650 7/20 0.36
ANPEP P15144 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
EPOR P19235 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL9068006 0.79 KIF11 (0.35) KIF11CYP2D6CYP2C9CYP2C19
Glycolic Acid SCHEMBL30111933 0.73 CES1 (0.36) KIF11CYP2D6CYP2C19
SCHEMBL10591561 0.71 ESR2 (0.36) KIF11CYP3A4
SCHEMBL5483343 0.71 CES1 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10586389 0.66 KIF11 (0.41) KIF11KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL27462507 0.64 LTB4R (0.37) CYP3A4CYP2D6
SCHEMBL5023008 0.63 KIF11 (0.56) KIF11KCNH2SLC7A5
SCHEMBL16473050 0.63 CPB2 (0.37)
SCHEMBL7145599 0.62 KIF11 (0.38) KIF11KCNH2
SCHEMBL5133753 0.62 CES1 (0.44) CYP3A4CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
EP-1781675-A2 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2007-05-09 EP disclosed
WO-2006020947-A2 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2006-02-23 WO disclosed