SCHEMBL11073013

SCHEMBL11073013

CCCc1c(OC(CC)S(=O)(=O)c2cccc(C(=O)CCC(=O)O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 17/20 0.56
CYSLTR2 Q9NS75 16/20 0.56
GRM2 Q14416 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
PPARG P37231 1/20 0.41
BLM P54132 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL11073016 0.81 CYSLTR2 (0.80) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9733378 0.75 CYSLTR2 (0.62) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL10919270 0.72 CYSLTR2 (0.69) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9735337 0.72 CYSLTR2 (0.69) CYSLTR1CYSLTR2GRM2LMNACYP1A2
L-648051 SCHEMBL157166 0.72 CYSLTR2 (1.00) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9734440 0.71 CYSLTR2 (0.73) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9733840 0.71 CYSLTR2 (0.68) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9733208 0.71 CYSLTR2 (0.68) CYSLTR1CYSLTR2GRM2LMNACYP1A2
SCHEMBL9734384 0.71 CYSLTR2 (0.57) CYSLTR1CYSLTR2GRM2LMNACYP1A2
L-648051 SCHEMBL30997207 0.71 CYSLTR2 (0.98) CYSLTR1CYSLTR2GRM2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP claimed