SCHEMBL9157243

SCHEMBL9157243

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

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.80
CYSLTR1 Q9Y271 17/20 0.80
PPARG P37231 2/20 0.77
PPARD Q03181 2/20 0.77
PPARA Q07869 2/20 0.77
LMNA P02545 1/20 0.77
CYP1A2 P05177 1/20 0.77
MAPT P10636 1/20 0.77
CYP2C9 P11712 1/20 0.77
NFKB1 P19838 1/20 0.77
BLM P54132 1/20 0.77
GRM2 Q14416 1/20 0.62

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
SCHEMBL10689725 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9622384 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9622277 0.88 CYSLTR2 (0.93) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL29369990 0.88 PPARG (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL2067483 0.88 PPARG (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9192587 0.87 CYSLTR2 (0.63) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10684678 0.87 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10690096 0.87 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10687758 0.87 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10954268 0.87 PPARG (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481891-B1 Phenoxyacetic acid compounds, method for production thereof, and pharmaceutical preparations containing same TERUMO CORP (JP) 1995-02-08 EP disclosed
EP-0181779-B1 Heterocyclic compounds, their production, and medicaments containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-03-16 EP disclosed
US-5258395-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
US-5179105-A Antiallergens TERUMO KABUSHIKI KAISHA (JP) 1993-01-12 US disclosed
US-5177215-A Heterocyclic compounds and pharmaceutical use thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-05 US disclosed
EP-0481891-A2 Phenoxyacetic acid compounds, method for production thereof, and pharmaceutical preparations containing same TERUMO KABUSHIKI KAISHA (JP) 1992-04-22 EP disclosed
US-4908368-A SRS-A antagonist MURASE KIYOSHI (JP) 1990-03-13 US disclosed
US-4855310-A Thiadiazole compounds as antagonists of SRS-A YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-08-08 US disclosed
US-4672066-A TREATMENT OF ALLERGIC CONDITIONS AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1987-06-09 US disclosed
US-4628115-A LEUKOTRIENE ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1986-12-09 US disclosed
EP-0181779-A1 Heterocyclic compounds, their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-05-21 EP disclosed