SCHEMBL7255386

SCHEMBL7255386

C[C@H](Oc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.66
AKR1B1 P15121 1/20 0.65
PTPN1 P18031 1/20 0.65

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
SCHEMBL7255441 1.00 ADAMTS5 (0.66) ADAMTS5AKR1B1PTPN1
SCHEMBL7260045 1.00 ADAMTS5 (0.66) ADAMTS5AKR1B1PTPN1
SCHEMBL7259941 1.00 ADAMTS5 (0.66) ADAMTS5AKR1B1PTPN1
SCHEMBL7255382 1.00 ADAMTS5 (0.66) ADAMTS5AKR1B1PTPN1
SCHEMBL7255340 0.92 AKR1B1 (0.68) ADAMTS5AKR1B1PTPN1
SCHEMBL7255342 0.91 AKR1B1 (0.65) ADAMTS5AKR1B1PTPN1
SCHEMBL7260135 0.91 AKR1B1 (0.65) ADAMTS5AKR1B1PTPN1
SCHEMBL5213971 0.90 ADAMTS5 (0.82) ADAMTS5AKR1B1PTPN1
SCHEMBL5213973 0.90 ADAMTS5 (0.82) ADAMTS5AKR1B1PTPN1
SCHEMBL5221598 0.88 ADAMTS5 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003070238-A1 THIAZOLIDINE ANTIFUNGAL AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO disclosed