SCHEMBL5485930

SCHEMBL5485930

O=C(O)C1(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 9/20 0.52
POLB P06746 3/20 0.52
CCKBR P32239 1/20 0.51
TP53 P04637 2/20 0.50
PPARG P37231 1/20 0.45
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
PFKFB3 Q16875 1/20 0.37
GAA P10253 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL2763666 0.81 ADAMTS5 (0.61) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL2765949 0.81 ADAMTS5 (0.61) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL13398362 0.81 ADAMTS5 (0.61) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL15882461 0.81 L3MBTL1 (0.61) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL2787143 0.80 MAPT (0.48) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL14208625 0.80 ADAMTS5 (0.60) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL2764939 0.80 ADAMTS5 (0.60) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL14208349 0.80 ADAMTS5 (0.60) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL2764820 0.80 ADAMTS5 (0.45) L3MBTL1MAPTPOLBCCKBRTP53
SCHEMBL2764817 0.80 ADAMTS5 (0.45) L3MBTL1MAPTPOLBCCKBRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516982-A 2007-06-28 JP claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP claimed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed