SCHEMBL7974858

SCHEMBL7974858

CC(C)(C)c1ccc(Oc2ccc(C=C3SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.79
MMP3 P08254 2/20 0.72
MMP13 P45452 2/20 0.72
CSNK2A2 P19784 1/20 0.67
CLK1 P49759 1/20 0.67
CSNK2B P67870 1/20 0.67
CSNK2A1 P68400 1/20 0.67
DYRK1A Q13627 1/20 0.67
DYRK1B Q9Y463 1/20 0.67
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
NAT1 P18440 3/20 0.57
MYC P01106 3/20 0.57
MAX P61244 3/20 0.57
CISD1 Q9NZ45 1/20 0.57
NPC1 O15118 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 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
SCHEMBL7974854 1.00 ADAMTS5 (0.79) ADAMTS5MMP3MMP13CSNK2A2CLK1
SCHEMBL14226359 0.92 ADAMTS5 (0.66) ADAMTS5CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL14261908 0.92 ADAMTS5 (0.66) ADAMTS5CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL14151863 0.92 ADAMTS5 (0.66) ADAMTS5CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL5154109 0.89 ADAMTS5 (0.81) ADAMTS5MMP3MMP13RAB9ANPC1
SCHEMBL5154117 0.89 ADAMTS5 (0.81) ADAMTS5MMP3MMP13RAB9ANPC1
SCHEMBL29518356 0.89 MEN1 (0.67) ADAMTS5MMP3MMP13CSNK2A2CLK1
SCHEMBL8188463 0.88 ADAMTS5 (1.00) ADAMTS5MMP3MMP13NAT1CISD1
SCHEMBL7972291 0.88 ADAMTS5 (1.00) ADAMTS5MMP3MMP13NAT1CISD1
SCHEMBL7969582 0.88 NAT1 (0.70) ADAMTS5CSNK2A2CLK1CSNK2BCSNK2A1

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