SCHEMBL7967989

SCHEMBL7967989

COc1cc(COc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.71
MMP3 P08254 1/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.71
BLM P54132 1/20 0.71
NOD2 Q9HC29 1/20 0.71
CSNK2A2 P19784 1/20 0.71
CLK1 P49759 1/20 0.71
CSNK2B P67870 1/20 0.71
CSNK2A1 P68400 1/20 0.71
DYRK1A Q13627 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
ADAMTS5 Q9UNA0 2/20 0.67
HPGD P15428 1/20 0.67
PTP4A3 O75365 1/20 0.66
CTSD P07339 3/20 0.64
PTGS2 P35354 2/20 0.63
PIK3CG P48736 1/20 0.62
CISD1 Q9NZ45 2/20 0.60

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
SCHEMBL7967991 1.00 MMP13 (0.71) MMP13MMP3MEN1KMT2APOLB
SCHEMBL4050763 0.91 HPGD (0.82) MMP13MMP3MEN1KMT2APOLB
SCHEMBL4050762 0.91 HPGD (0.82) MMP13MMP3MEN1KMT2APOLB
SCHEMBL7958269 0.85 MMP13 (0.64) MMP13MMP3MEN1KMT2APOLB
SCHEMBL7958272 0.85 MMP13 (0.64) MMP13MMP3MEN1KMT2APOLB
SCHEMBL8312402 0.84 CSNK2A2 (1.00) MMP13MMP3MEN1KMT2APOLB
SCHEMBL8312399 0.84 CSNK2A2 (1.00) MMP13MMP3MEN1KMT2APOLB
SCHEMBL15421331 0.84 CSNK2A2 (1.00) MMP13MMP3MEN1KMT2APOLB
SCHEMBL4056380 0.84 HPGD (0.82) MMP13MMP3POLBCSNK2A2CLK1
SCHEMBL4051348 0.84 NPC1 (0.79) MMP13MMP3MEN1KMT2APOLB

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