SCHEMBL5494344

SCHEMBL5494344

O=C(O)C1(NS(=O)(=O)c2ccc(-c3cccs3)cc2)C[C@H]1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 8/20 0.69
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP2 P08253 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KAT6A Q92794 1/20 0.43
GHSR Q92847 4/20 0.39
ADAM17 P78536 2/20 0.37
ACLY P53396 1/20 0.37
GRIA2 P42262 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MMP1 P03956 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL2765675 1.00 ADAMTS5 (0.69) ADAMTS5MAPK1CYP2C19CA12CA1
SCHEMBL2765671 1.00 ADAMTS5 (0.69) ADAMTS5MAPK1CYP2C19CA12CA1
SCHEMBL2764179 0.86 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2ADAM17
SCHEMBL2764182 0.86 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2ADAM17
SCHEMBL5495201 0.83 ADAMTS5 (0.64) ADAMTS5MAPK1CYP2C19GHSRADAM17
SCHEMBL2763654 0.83 ADAMTS5 (0.64) ADAMTS5MAPK1CYP2C19GHSRADAM17
SCHEMBL2763655 0.83 ADAMTS5 (0.64) ADAMTS5MAPK1CYP2C19GHSRADAM17
SCHEMBL2766202 0.83 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19ADAM17MAPT
SCHEMBL2766204 0.83 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19ADAM17MAPT
SCHEMBL2766668 0.82 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19KAT6AADAM17

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
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