SCHEMBL13639464

SCHEMBL13639464

CCOC(O)CCCCCCCN

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
DNM1 Q05193 8/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TRPA1 O75762 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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
SCHEMBL27815868 1.00 CPB2 (0.44) CPB2MEN1KMT2ACYP1A2DNM1
SCHEMBL27794702 1.00 CPB2 (0.44) CPB2MEN1KMT2ACYP1A2DNM1
SCHEMBL13639460 0.91
SCHEMBL18612864 0.83 THRB (0.31) CPB2
SCHEMBL23038706 0.82 GPR84 (0.45) CYP1A2SPHK1
SCHEMBL11486624 0.82 GPR84 (0.45) CYP1A2SPHK1
SCHEMBL9637168 0.82 GPR84 (0.45) CYP1A2SPHK1
SCHEMBL22444497 0.82 GPR84 (0.45) CYP1A2SPHK1
SCHEMBL9637167 0.82 GPR84 (0.45) CYP1A2SPHK1
SCHEMBL2197335 0.82 GPR84 (0.45) CYP1A2SPHK1

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-2231711-B1 HYDROXYALKYL STARCH DERIVATIVES AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DE GMBH (DE) 2012-11-07 EP disclosed
WO-2009077154-A1 HYDROXYALKYL STARCH DERIVATIVES AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2009-06-25 WO disclosed
EP-2070950-A1 Hydroxyalkyl starch derivatives and process for their preparation Fresenius Kabi Deutschland GmbH (DE) 2009-06-17 EP disclosed