SCHEMBL7256459

SCHEMBL7256459

CO[C@H](COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.79
AKR1B1 P15121 1/20 0.77
PTPN1 P18031 1/20 0.77

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
SCHEMBL7255379 1.00 ADAMTS5 (0.79) ADAMTS5AKR1B1PTPN1
SCHEMBL7255381 1.00 ADAMTS5 (0.79) ADAMTS5AKR1B1PTPN1
SCHEMBL7255371 1.00 ADAMTS5 (0.79) ADAMTS5AKR1B1PTPN1
SCHEMBL7255375 1.00 ADAMTS5 (0.79) ADAMTS5AKR1B1PTPN1
SCHEMBL5222919 0.90 ADAMTS5 (0.82) ADAMTS5AKR1B1PTPN1
SCHEMBL5222930 0.90 ADAMTS5 (0.82) ADAMTS5AKR1B1PTPN1
SCHEMBL5222925 0.90 ADAMTS5 (0.82) ADAMTS5AKR1B1PTPN1
SCHEMBL186520 0.89 ADAMTS5 (1.00) ADAMTS5AKR1B1PTPN1
SCHEMBL245003 0.89 ADAMTS5 (1.00) ADAMTS5AKR1B1PTPN1
SCHEMBL6720207 0.87 AKR1B1 (1.00) ADAMTS5AKR1B1PTPN1

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
WO-2003070239-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO claimed
WO-2003070239-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO disclosed