SCHEMBL6535664

SCHEMBL6535664

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

nearest known ligand 0.56

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
SCHEMBL14799799 0.97 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL4126064 0.90 SCN5A (0.46) SCN5ASCN9ASCN10A
SCHEMBL14815784 0.88 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL27709035 0.88 POLM (0.49)
SCHEMBL17372982 0.86 POLM (0.51)
SCHEMBL14816076 0.86 SCN5A (0.45) SCN5ASCN9ASCN10A
SCHEMBL29998258 0.84 ATM (0.45)
SCHEMBL9754189 0.82 SCN5A (0.47) SCN5ASCN9ASCN10A
SCHEMBL21574518 0.82 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL15548101 0.81 POLM (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318798-A4 WATER-SOLUBLE PRODRUGS OF PROPOFOL FOR TREATMENT OF MIGRAINE VYREX CORP (US) 2004-01-28 EP disclosed
EP-1075489-B1 WATER-SOLUBLE PRODRUGS OF 2,6-DIISOPROPYLPHENOL ANALOGUES VYREX CORP (US) 2003-08-20 EP disclosed
EP-1318798-A1 WATER-SOLUBLE PRODRUGS OF PROPOFOL FOR TREATMENT OF MIGRAINE VYREX CORPORATION (US) 2003-06-18 EP disclosed
US-6362234-B1 HEADACHES VYREX CORPORATION 2002-03-26 US disclosed
WO-2002013810-A1 WATER-SOLUBLE PRODRUGS OF PROPOFOL FOR TREATMENT OF MIGRAINE VYREX CORPORATION (US) 2002-02-21 WO disclosed
US-6254853-B1 DRUGS WITH CARRIERS VYREX CORPORATION 2001-07-03 US disclosed
EP-1075489-A2 WATER-SOLUBLE PRO-DRUGS OF 2,6-DIISOPROPYLPHENOL ANALOGUES VYREX CORPORATION (US) 2001-02-14 EP disclosed
WO-1999058555-A2 WATER-SOLUBLE PRO-DRUGS OF 2,6-DIISOPROPYLPHENOL ANALOGUES VYREX CORPORATION (US) 1999-11-18 WO disclosed