SCHEMBL6058646

SCHEMBL6058646

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 1.00
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 1/20 0.46

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
SCHEMBL2765163 1.00 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL13398332 1.00 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764668 1.00 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764561 1.00 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764374 1.00 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764182 0.92 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764179 0.92 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2765201 0.92 ADAMTS5 (0.85) ADAMTS5MMP2
SCHEMBL2765203 0.92 ADAMTS5 (0.85) ADAMTS5MMP2
SCHEMBL2765456 0.90 ADAMTS5 (0.82) ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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