SCHEMBL6981736

SCHEMBL6981736

CCCN(CCC)C(=O)c1ccccc1COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.73
AKR1B1 P15121 1/20 0.69
PTPN1 P18031 1/20 0.69

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
SCHEMBL5892593 0.90 ADAMTS5 (0.67) ADAMTS5AKR1B1PTPN1
SCHEMBL5892537 0.88 ADAMTS5 (0.79) ADAMTS5AKR1B1PTPN1
SCHEMBL5218002 0.88 ADAMTS5 (0.73) ADAMTS5AKR1B1PTPN1
SCHEMBL2931055 0.88 ADAMTS5 (0.70) ADAMTS5AKR1B1PTPN1
SCHEMBL2925494 0.87 ADAMTS5 (0.69) ADAMTS5AKR1B1PTPN1
SCHEMBL186520 0.85 ADAMTS5 (1.00) ADAMTS5AKR1B1PTPN1
SCHEMBL245003 0.85 ADAMTS5 (1.00) ADAMTS5AKR1B1PTPN1
SCHEMBL5222372 0.85 ADAMTS5 (0.77) ADAMTS5AKR1B1PTPN1
SCHEMBL2932473 0.84 ADAMTS5 (0.67) ADAMTS5AKR1B1PTPN1
SCHEMBL5215536 0.84 ADAMTS5 (0.74) 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
EP-1313471-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002017915-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-07 WO disclosed