SCHEMBL7974727

SCHEMBL7974727

CCCCOc1ccc(COc2cccc(C=C3SC(=S)NC3=O)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.76
MMP13 P45452 3/20 0.76
GSK3B P49841 4/20 0.72
IDH1 O75874 1/20 0.69
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
BLM P54132 1/20 0.64
KMT2A Q03164 1/20 0.64
NOD2 Q9HC29 1/20 0.64
MMP3 P08254 2/20 0.64
CNR1 P21554 1/20 0.59
CTSD P07339 3/20 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
SCHEMBL7974725 1.00 ADAMTS5 (0.76) ADAMTS5MMP13GSK3BIDH1MEN1
SCHEMBL12685660 0.93 GSK3B (0.79) ADAMTS5MMP13GSK3BIDH1MEN1
SCHEMBL7971373 0.92 ADAMTS5 (0.76) ADAMTS5MMP13GSK3BIDH1MMP3
SCHEMBL7971376 0.92 ADAMTS5 (0.76) ADAMTS5MMP13GSK3BIDH1MMP3
SCHEMBL7975036 0.90 MMP3 (0.75) ADAMTS5MMP13MEN1POLBBLM
SCHEMBL7975038 0.90 MMP3 (0.75) ADAMTS5MMP13MEN1POLBBLM
SCHEMBL4061306 0.88 MMP3 (0.72) ADAMTS5MMP13MEN1POLBBLM
SCHEMBL1249082 0.86 ADAMTS5 (1.00) ADAMTS5MMP13GSK3BIDH1MEN1
SCHEMBL1249080 0.86 ADAMTS5 (1.00) ADAMTS5MMP13GSK3BIDH1MEN1
SCHEMBL12891797 0.86 ADAMTS5 (1.00) ADAMTS5MMP13GSK3BIDH1MEN1

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
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed