SCHEMBL5495201

SCHEMBL5495201

Cc1csc(-c2ccc(S(=O)(=O)NC3(C(=O)O)C[C@H]3c3ccccc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 8/20 0.64
GHSR Q92847 4/20 0.42
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP1 P03956 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
SLC6A7 Q99884 1/20 0.35
MCL1 Q07820 1/20 0.33

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
SCHEMBL2763655 1.00 ADAMTS5 (0.64) ADAMTS5GHSRMAPK1CYP2C19MMP1
SCHEMBL2763654 1.00 ADAMTS5 (0.64) ADAMTS5GHSRMAPK1CYP2C19MMP1
SCHEMBL5494344 0.83 ADAMTS5 (0.69) ADAMTS5GHSRMAPK1CYP2C19MMP1
SCHEMBL2765675 0.83 ADAMTS5 (0.69) ADAMTS5GHSRMAPK1CYP2C19MMP1
SCHEMBL2765671 0.83 ADAMTS5 (0.69) ADAMTS5GHSRMAPK1CYP2C19MMP1
SCHEMBL2764182 0.82 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL2764179 0.82 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL6058640 0.81 ADAMTS5 (0.62) ADAMTS5KDM4ENPSR1
SCHEMBL2766676 0.81 ADAMTS5 (0.62) ADAMTS5KDM4ENPSR1
SCHEMBL2766673 0.81 ADAMTS5 (0.62) ADAMTS5KDM4ENPSR1

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