SCHEMBL7974824

SCHEMBL7974824

CCCc1c(COc2ccc(/C=C3\SC(=S)NC3=O)cc2)ccc(C(C)=O)c1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 18/20 1.00
MMP3 P08254 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL7974828 1.00 CTSD (1.00) CTSDMMP3MMP13
SCHEMBL7971381 0.92 CTSD (1.00) CTSD
SCHEMBL7971385 0.92 CTSD (1.00) CTSD
SCHEMBL7971394 0.89 CTSD (1.00) CTSD
SCHEMBL7971391 0.89 CTSD (1.00) CTSD
Lithium SCHEMBL7968174 0.88 CTSD (0.98) CTSD
SCHEMBL7968013 0.88 CTSD (0.98) CTSD
SCHEMBL7968009 0.88 CTSD (0.98) CTSD
SCHEMBL7968171 0.88 CTSD (0.98) CTSD
SCHEMBL7968016 0.88 CTSD (0.98) CTSD

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