SCHEMBL9754189

SCHEMBL9754189

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47

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
SCHEMBL9082255 0.85 SCN5A (0.46) SCN5ASCN9ASCN10A
SCHEMBL4126064 0.85 SCN5A (0.46) SCN5ASCN9ASCN10A
SCHEMBL16330807 0.82 SCN5A (0.52) SCN5ASCN9ASCN10A
SCHEMBL6535664 0.82 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL14799799 0.82 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL23277004 0.81 SMN1; SMN2 (0.51) SCN5ASCN9ASCN10A
SCHEMBL10241522 0.81 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL3175458 0.80 SCN5A (0.42) SCN5ASCN9ASCN10A
SCHEMBL4023092 0.80 SCN5A (0.49) SCN5ASCN9ASCN10A
SCHEMBL29997619 0.79 THRA (0.40) 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
WO-1991015464-A1 AMIDE ESTER ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-10-17 WO disclosed