SCHEMBL7968343

SCHEMBL7968343

CCCc1c(COc2ccc(C=O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.67
CYSLTR1 Q9Y271 16/20 0.67
CTSD P07339 4/20 0.63

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
SCHEMBL7971603 0.86 CTSD (0.65) CYSLTR2CYSLTR1CTSD
SCHEMBL9172468 0.84 LMNA (0.68) CYSLTR2CYSLTR1CTSD
SCHEMBL9173547 0.84 GRM2 (0.68) CYSLTR2CYSLTR1CTSD
SCHEMBL9173157 0.84 CYSLTR2 (0.64) CYSLTR2CYSLTR1CTSD
SCHEMBL9175712 0.83 CYSLTR2 (0.64) CYSLTR2CYSLTR1CTSD
SCHEMBL8560511 0.83 CYSLTR2 (0.63) CYSLTR2CYSLTR1CTSD
SCHEMBL22800103 0.83 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSD
SCHEMBL9180015 0.82 CYSLTR2 (0.64) CYSLTR2CYSLTR1CTSD
SCHEMBL9176107 0.82 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSD
SCHEMBL9179128 0.81 CYSLTR2 (0.62) CYSLTR2CYSLTR1CTSD

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 3 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
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 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