SCHEMBL2928283

SCHEMBL2928283

CC(C)c1cccc(C(C)C)c1OC(=O)OCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.63
SCN9A Q15858 1/20 0.63
SCN10A Q9Y5Y9 1/20 0.63

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
SCHEMBL3180459 0.84 SCN5A (0.66) SCN5ASCN9ASCN10A
SCHEMBL3173823 0.83 SCN5A (0.64) SCN5ASCN9ASCN10A
Hydrochloric Acid SCHEMBL3166737 0.82 SCN5A (0.67) SCN5ASCN9ASCN10A
SCHEMBL17069170 0.81 SCN5A (0.61) SCN5ASCN9ASCN10A
SCHEMBL17071808 0.81 SCN5A (0.65) SCN5ASCN9ASCN10A
SCHEMBL17069159 0.81 SCN5A (0.73) SCN5ASCN9ASCN10A
SCHEMBL17069157 0.81 SCN5A (0.61) SCN5ASCN9ASCN10A
SCHEMBL1952758 0.80 SCN5A (0.58) SCN5ASCN9ASCN10A
SCHEMBL17069169 0.80 SCN5A (0.59) SCN5ASCN9ASCN10A
SCHEMBL4126064 0.80 SCN5A (0.46) SCN5ASCN9ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844000-B1 SERINE AMINO ACID DERIVED PRODRUGS OF PROPOFOL, COMPOSITIONS, USES AND CRYSTALLINE FORMS THEREOF XENOPORT INC (US) 2010-01-27 EP disclosed