SCHEMBL7968016

SCHEMBL7968016

CCCc1c(COc2ccc(C=C3SC(=S)NC3=O)cc2)ccc(C(C)=O)c1O.[Na].[Na]

nearest known ligand 0.98

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 19/20 0.98
CYSLTR2 Q9NS75 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55

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
SCHEMBL7971394 0.99 CTSD (1.00) CTSDCYSLTR2CYSLTR1
SCHEMBL7971391 0.99 CTSD (1.00) CTSDCYSLTR2CYSLTR1
Lithium SCHEMBL7968174 0.98 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968173 0.98 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968171 0.98 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968009 0.98 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7968013 0.98 CTSD (0.98) CTSDCYSLTR2CYSLTR1
SCHEMBL7974925 0.89 CTSD (1.00) CTSDCYSLTR2CYSLTR1
SCHEMBL7974927 0.89 CTSD (1.00) CTSDCYSLTR2CYSLTR1
SCHEMBL7971385 0.89 CTSD (1.00) 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