SCHEMBL7971373

SCHEMBL7971373

CCCCc1ccc(COc2cccc(/C=C3\SC(=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
IDH1 O75874 1/20 0.69
GSK3B P49841 3/20 0.62
CTSD P07339 3/20 0.59
CNR1 P21554 1/20 0.59
MMP3 P08254 2/20 0.58
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
NAT1 P18440 1/20 0.56

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
SCHEMBL7971376 1.00 ADAMTS5 (0.76) ADAMTS5MMP13IDH1GSK3BCTSD
SCHEMBL7974727 0.92 ADAMTS5 (0.76) ADAMTS5MMP13IDH1GSK3BCTSD
SCHEMBL7974725 0.92 ADAMTS5 (0.76) ADAMTS5MMP13IDH1GSK3BCTSD
SCHEMBL7969152 0.89 ADAMTS5 (0.72) ADAMTS5MMP13IDH1GSK3BMMP3
SCHEMBL7969157 0.89 ADAMTS5 (0.72) ADAMTS5MMP13IDH1GSK3BMMP3
SCHEMBL7968119 0.88 MMP3 (0.72) ADAMTS5MMP13CTSDMMP3
SCHEMBL7968122 0.88 MMP3 (0.72) ADAMTS5MMP13CTSDMMP3
SCHEMBL12685660 0.86 GSK3B (0.79) ADAMTS5MMP13IDH1GSK3BMMP3
SCHEMBL1249082 0.86 ADAMTS5 (1.00) ADAMTS5MMP13IDH1GSK3BCTSD
SCHEMBL1249080 0.86 ADAMTS5 (1.00) ADAMTS5MMP13IDH1GSK3BCTSD

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