SCHEMBL7968159

SCHEMBL7968159

CCCc1c(OCc2ccc(C=O)cc2)ccc(C(C)=O)c1OC

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.65
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
CYSLTR1 Q9Y271 10/20 0.47
CYSLTR2 Q9NS75 9/20 0.47
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
GRM2 Q14416 1/20 0.45

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
SCHEMBL7971466 0.90 CTSD (0.65) CTSDPDCD1CD274CYSLTR1CYSLTR2
SCHEMBL7958997 0.86 CTSD (0.63) CTSDCYSLTR1CYSLTR2GRM2
SCHEMBL7971603 0.80 CTSD (0.65) CTSDCYSLTR1CYSLTR2
SCHEMBL7971652 0.79 CTSD (1.00) CTSD
SCHEMBL7971649 0.79 CTSD (1.00) CTSD
SCHEMBL6936538 0.77 PTGER1 (0.50) CTSD
SCHEMBL10952453 0.76 CTSD (0.58) CTSDCYSLTR1CYSLTR2GRM2
SCHEMBL10952448 0.76 CTSD (0.58) CTSDCYSLTR1CYSLTR2GRM2
SCHEMBL10953336 0.76 CTSD (0.59) CTSDCYSLTR1CYSLTR2GRM2
SCHEMBL10953343 0.76 CTSD (0.59) CTSDCYSLTR1CYSLTR2GRM2

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