SCHEMBL7971385

SCHEMBL7971385

CCCc1c(COc2ccc(C=C3SC(=S)NC3=O)cc2)ccc(C(C)=O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 15/20 1.00
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CLK1 P49759 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52

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
SCHEMBL7971381 1.00 CTSD (1.00) CTSDCYSLTR2CYSLTR1CSNK2A2CLK1
SCHEMBL7974828 0.92 CTSD (1.00) CTSD
SCHEMBL7974824 0.92 CTSD (1.00) CTSD
SCHEMBL7971394 0.90 CTSD (1.00) CTSDCYSLTR2CYSLTR1
SCHEMBL7971391 0.90 CTSD (1.00) CTSDCYSLTR2CYSLTR1
SCHEMBL7968016 0.89 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968171 0.89 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968013 0.89 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968009 0.89 CTSD (0.98) CTSDCYSLTR2CYSLTR1
Lithium SCHEMBL7968174 0.89 CTSD (0.98) CTSDCYSLTR2CYSLTR1

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