SCHEMBL16359229

SCHEMBL16359229

CCCOCCOCCNC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA3 P07451 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX2 P34913 1/20 0.42
CES2 O00748 1/20 0.37
FAAH O00519 1/20 0.34

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
SCHEMBL19500429 0.89 ALDH1A1 (0.50) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL38654908 0.88 SMN1; SMN2 (0.62) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL24793189 0.85 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL24262379 0.85 ALDH1A1 (0.50) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL30093387 0.85 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL13847041 0.85 ALDH1A1 (0.54) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL24243983 0.83 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL21224801 0.83 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL17035294 0.83 MEN1 (0.44) EPHX1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL3219761 0.83 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2ALDH1A1POLBMEN1

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
US-20160237208-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities UNIV VANDERBILT (US) 2016-08-18 US disclosed
WO-2011082432-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES VANDERBILT UNIVERSITY (US) 2011-07-07 WO disclosed