SCHEMBL6058520

SCHEMBL6058520

O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1cc(Oc2ccccc2)cc(Oc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.75
BCL2L1 Q07817 6/20 0.46
MCL1 Q07820 6/20 0.46
PGR P06401 1/20 0.44
MMP1 P03956 4/20 0.43
MMP13 P45452 4/20 0.43
MMP2 P08253 1/20 0.40

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
SCHEMBL2765343 1.00 ADAMTS5 (0.75) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2765345 1.00 ADAMTS5 (0.75) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2763811 0.93 ADAMTS5 (0.77) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2763812 0.93 ADAMTS5 (0.77) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2765459 0.92 ADAMTS5 (0.82) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2765456 0.92 ADAMTS5 (0.82) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2764113 0.91 ADAMTS5 (0.74) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2764110 0.91 ADAMTS5 (0.74) ADAMTS5BCL2L1MCL1PGRMMP1
SCHEMBL2764374 0.86 ADAMTS5 (1.00) ADAMTS5MMP2
SCHEMBL2764668 0.86 ADAMTS5 (1.00) ADAMTS5MMP2

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