SCHEMBL7958997

SCHEMBL7958997

CCCc1c(OCc2ccc(C=O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.63
CYSLTR1 Q9Y271 11/20 0.61
CYSLTR2 Q9NS75 6/20 0.61
GRM2 Q14416 6/20 0.58
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 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
SCHEMBL10953343 0.86 CTSD (0.59) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL10953336 0.86 CTSD (0.59) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL4943873 0.86 CYSLTR1 (0.58) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL7968159 0.86 CTSD (0.65) CTSDCYSLTR1CYSLTR2GRM2
SCHEMBL481227 0.85 CYSLTR1 (0.64) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL10728099 0.85 CYSLTR1 (0.64) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL2894682 0.85 CYSLTR1 (0.64) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL7971466 0.85 CTSD (0.65) CTSDCYSLTR1CYSLTR2GRM2
SCHEMBL9120538 0.85 MAPT (0.67) CTSDCYSLTR1CYSLTR2GRM2PPARG
SCHEMBL10952448 0.85 CTSD (0.58) CTSDCYSLTR1CYSLTR2GRM2PPARG

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