SCHEMBL7968145

SCHEMBL7968145

CCCc1c(CCl)ccc(C(C)=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.49
CYSLTR1 Q9Y271 16/20 0.49
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
GRM2 Q14416 1/20 0.45
PRKCI P41743 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
SCHEMBL9180066 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9177662 0.85 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9174003 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9172866 0.82 HTT (0.42) CYSLTR2CYSLTR1MAPT
SCHEMBL7974622 0.81 CYSLTR2 (0.47) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9170767 0.81 CTSD (0.47) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9734780 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL30736074 0.80 CYP1A2 (0.50) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL480388 0.80 CYP1A2 (0.50) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9177325 0.79 CYSLTR2 (0.47) CYSLTR2CYSLTR1CYP1A2MAPTCYP2C9

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5105017-A Antiallergens ELI LILLY AND COMPANY (US) 1992-04-14 US claimed
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
US-5393768-A Treating hypersensitivity reactions such as asthma ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
US-5180730-A Pyridylthiomethyl-Substituted Phenols, Antianaphylactic Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-19 US disclosed
EP-0288189-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-11-11 EP disclosed
EP-0288190-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
US-5105017-A Antiallergens ELI LILLY AND COMPANY (US) 1992-04-14 US disclosed
US-4933348-A MEDICINES; ANTAGONISTS OF SLOW REACTING SUBSTANCE OF ANAPHYLAXIS; PROPHYLAXIS AND TREATMENT OF ALLERGIC DISEASES MASE TOSHIYASU (JP) 1990-06-12 US disclosed
EP-0132366-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
US-4874777-A ANTIASTHMATICS ELI LILLY AND COMPANY (US) 1989-10-17 US disclosed
US-4853398-A ANTIALLERGENS ELI LILLY AND COMPANY (US) 1989-08-01 US disclosed
US-4803211-A Thiadizazole compounds as antagonists of SRS-A YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-02-07 US disclosed
EP-0288189-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed
EP-0288190-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed
EP-0214732-A2 (Substituted benzyl)-thio heterocyclic compounds having a leukotriene-antagonist activity YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-03-18 EP disclosed
EP-0132366-A2 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed