SCHEMBL9733439

SCHEMBL9733439

CCCc1cc(C(=O)CCC(=O)O)ccc1S(=O)(=O)CCCOc1ccc(C(C)=O)c(O)c1CCC

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.76
CYSLTR1 Q9Y271 17/20 0.76
GRM2 Q14416 2/20 0.55
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
PPARG P37231 1/20 0.51
BLM P54132 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL10697713 0.92 CYSLTR2 (0.64) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9733653 0.91 CYSLTR2 (0.75) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL10919270 0.87 CYSLTR2 (0.69) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9733931 0.87 CYSLTR2 (0.70) CYSLTR2CYSLTR1GRM2LMNACYP1A2
L-648051 SCHEMBL157166 0.87 CYSLTR2 (1.00) CYSLTR2CYSLTR1GRM2LMNACYP1A2
L-648051 SCHEMBL30997207 0.86 CYSLTR2 (0.98) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL11073016 0.85 CYSLTR2 (0.80) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL11073023 0.84 CYSLTR2 (0.73) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9734027 0.82 CYSLTR2 (0.91) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9733301 0.82 PPARG (0.62) CYSLTR2CYSLTR1GRM2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP claimed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP claimed
US-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP disclosed
EP-0156233-A2 Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions MERCK & CO. INC. (US) 1985-10-02 EP disclosed