SCHEMBL6983567

SCHEMBL6983567

O=C(O)CN1C(=O)C(=Cc2cccc(OC(C(=O)Nc3ccc(OCc4ccccc4)cc3)c3ccccc3)c2)SC1=S

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.73
PTPN1 P18031 7/20 0.73
MMP3 P08254 3/20 0.73
MMP13 P45452 3/20 0.73
GFER P55789 1/20 0.73
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
POLB P06746 2/20 0.64
PTPN2 P17706 1/20 0.59
ADAMTS5 Q9UNA0 1/20 0.58

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
SCHEMBL5222369 0.85 ADAMTS5 (0.74) AKR1B1PTPN1ADAMTS5
SCHEMBL6887210 0.85 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL19736049 0.85 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL6887214 0.85 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL19736228 0.81 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL17319262 0.81 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL1060503 0.81 AKR1B1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL19736085 0.78 MEN1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL29408626 0.78 MEN1 (1.00) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL25992272 0.78 AKR1B1 (0.85) AKR1B1PTPN1MMP3MMP13GFER

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 claimed
WO-2002017915-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-07 WO claimed