SCHEMBL7968942

SCHEMBL7968942

Cc1ccc(C)c(COc2ccc(C=C3SC(=S)NC3=O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.62
MMP13 P45452 1/20 0.62
PTGS2 P35354 3/20 0.61
HPGD P15428 1/20 0.58
CSNK2A2 P19784 1/20 0.58
CLK1 P49759 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
DYRK1A Q13627 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
BLM P54132 1/20 0.57
NOD2 Q9HC29 1/20 0.57
CTSD P07339 6/20 0.56
GPR35 Q9HC97 1/20 0.56
GSK3B P49841 1/20 0.55
CISD1 Q9NZ45 1/20 0.54

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
SCHEMBL7968939 1.00 MMP3 (0.62) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL7971526 0.87 MMP3 (0.71) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL7971523 0.87 MMP3 (0.71) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL4056382 0.84 HPGD (0.82) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL4056380 0.84 HPGD (0.82) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL4055509 0.83 MMP13 (0.76) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL4055508 0.83 MMP13 (0.76) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL4059997 0.81 MMP13 (0.66) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL4059996 0.81 MMP13 (0.66) MMP3MMP13PTGS2HPGDCSNK2A2
SCHEMBL2066016 0.79 PTP4A3 (0.70) GSK3BCISD1NAT1

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