SCHEMBL4591609

SCHEMBL4591609

CC(=O)C1CO1.CC(=O)C1CO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL728797 1.00
SCHEMBL8258119 1.00
SCHEMBL12196225 1.00
SCHEMBL19658189 0.97 THRA (0.32) ALDH1A1SMN1; SMN2NLRP3
SCHEMBL10659774 0.81
SCHEMBL17681982 0.79
SCHEMBL21957841 0.79
SCHEMBL10907748 0.79
SCHEMBL15172351 0.75 CHRM2 (0.40)
SCHEMBL17928477 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511477-A4 HISTONE DEACETYLASE INHIBITORS BASED ON ALPHA-KETOEPOXIDE COMPOUNDS ERRANT GENE THERAPEUTICS LLC (US) 2008-04-09 EP disclosed
EP-1511477-A1 HISTONE DEACETYLASE INHIBITORS BASED ON ALPHA-KETOEPOXIDE COMPOUNDS Errant Gene Therapeutics, LLC (US) 2005-03-09 EP disclosed
WO-2003099272-A1 HISTONE DEACETYLASE INHIBITORS BASED ON ALPHA-KETOEPOXIDE COMPOUNDS ERRANT GENE THERAPEUTICS, LLC (US) 2003-12-04 WO disclosed