SCHEMBL28049435

SCHEMBL28049435

CC(C)c1cccc(C(C)C)c1OC(=O)C1NCCN1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN10A Q9Y5Y9 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
SCHEMBL2677256 0.81 SCN4A (0.43) SCN5ASCN9ASCN10A
SCHEMBL10241519 0.81 SCN4A (0.43) SCN5ASCN9ASCN10A
Hydrochloric Acid SCHEMBL6260458 0.80 SCN4A (0.42) SCN5ASCN9ASCN10A
SCHEMBL1952758 0.75 SCN5A (0.58) SCN5ASCN9ASCN10A
SCHEMBL4023092 0.73 SCN5A (0.49) SCN5ASCN9ASCN10A
SCHEMBL1927023 0.73 SCN5A (0.49) SCN5ASCN9ASCN10A
SCHEMBL28439194 0.72
SCHEMBL2016482 0.72 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL1362427 0.72 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL11225641 0.71 SCN5A (0.44) 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
CN-105218793-A Method for preparing polyester polyol by catalysis of carbene derivative NANJING UNIVERSITY OF TECHNOLOGY 2016-01-06 CN disclosed