SCHEMBL5492288

SCHEMBL5492288

O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H]1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 6/20 0.78
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 13/20 0.46
▸ MMP9 P14780 10/20 0.46
▸ MMP1 P03956 9/20 0.46
▸ MMP3 P08254 9/20 0.46
▸ MMP7 P09237 9/20 0.46
▸ MMP13 P45452 9/20 0.46
▸ MMP14 P50281 2/20 0.41
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ MEP1B Q16820 1/20 0.39

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
SCHEMBL2764111 1.00 ADAMTS5 (0.78) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL2764112 1.00 ADAMTS5 (0.78) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL2764182 0.92 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL2764179 0.92 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL6058646 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764374 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764561 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL13398332 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2765163 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764668 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2

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
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