SCHEMBL84111

SCHEMBL84111

CC(C)c1cccc2c1[S+]([O-])c1ccccc1C2.CCCOc1ccc(Cl)c2c1[S+]([O-])c1ccccc1C2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL133173 0.90 CSNK2A1 (0.35) MEN1KMT2A
SCHEMBL7769310 0.86 PTPRC (0.30)
SCHEMBL8065205 0.82 HTT (0.34)
SCHEMBL1615176 0.82 S1PR5 (0.36) MEN1KMT2A
SCHEMBL3159501 0.82 S1PR5 (0.36) MEN1KMT2A
SCHEMBL3014685 0.79
SCHEMBL8857494 0.79 HTR2C (0.35) MEN1KMT2A
SCHEMBL150717 0.78 GABRA1 (0.33) KMT2A
SCHEMBL1614173 0.77 L3MBTL1 (0.31) MEN1KMT2A
SCHEMBL1615142 0.77 MEN1 (0.31) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4723379-B2 2011-07-13 JP claimed
JP-2007515377-A 2007-06-14 JP claimed
EP-1660019-A1 POLYMERIZABLE DENTAL COMPOSITION HAVING A HIGH CONTENT OF LOADING MATERIAL Rhodia Chimie (FR) 2006-05-31 EP claimed
WO-2005027857-A1 POLYMERIZABLE DENTAL COMPOSITION HAVING A HIGH CONTENT OF LOADING MATERIAL RHODIA CHIMIE (FR) 2005-03-31 WO claimed