SCHEMBL11225641

SCHEMBL11225641

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44

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
Chloromethane SCHEMBL28360619 0.81 SCN5A (0.47) SCN5ASCN9ASCN10A
SCHEMBL1362427 0.79 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL1952758 0.79 SCN5A (0.58) SCN5ASCN9ASCN10A
SCHEMBL4023092 0.77 SCN5A (0.49) SCN5ASCN9ASCN10A
SCHEMBL1927023 0.77 SCN5A (0.49) SCN5ASCN9ASCN10A
SCHEMBL2016482 0.76 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL23277004 0.75 SMN1; SMN2 (0.51) SCN5ASCN9ASCN10A
SCHEMBL6946542 0.74 SCN5A (0.47) SCN5ASCN9ASCN10A
SCHEMBL17069170 0.74 SCN5A (0.61) SCN5ASCN9ASCN10A
SCHEMBL9317402 0.73

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
US-4334111-A PYROLYSIS OF PHENYL TRIHALOACETATE THE DOW CHEMICAL COMPANY (US) 1982-06-08 US disclosed