SCHEMBL9711382

SCHEMBL9711382

CCCc1c(COc2ccc(C(=O)c3cccc(C#N)c3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.54
CYSLTR1 Q9Y271 15/20 0.54
GRM2 Q14416 1/20 0.48
CTSD P07339 3/20 0.47
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
PPARG P37231 1/20 0.43
BLM P54132 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL9175712 0.85 CYSLTR2 (0.64) CYSLTR2CYSLTR1GRM2CTSDLMNA
SCHEMBL481139 0.84 CYSLTR1 (0.53) CYSLTR2CYSLTR1GRM2CTSDLMNA
SCHEMBL9177982 0.83 CYSLTR2 (0.57) CYSLTR2CYSLTR1CTSD
SCHEMBL9637415 0.80 CYSLTR2 (0.59) CYSLTR2CYSLTR1GRM2CTSDLMNA
SCHEMBL9173919 0.80 CYSLTR1 (0.64) CYSLTR2CYSLTR1GRM2CTSD
SCHEMBL9711384 0.80 CYSLTR2 (0.59) CYSLTR2CYSLTR1CTSD
SCHEMBL9173547 0.79 GRM2 (0.68) CYSLTR2CYSLTR1GRM2CTSDLMNA
SCHEMBL9176134 0.79 CYSLTR2 (0.57) CYSLTR2CYSLTR1CTSD
SCHEMBL9181645 0.78 CYSLTR2 (0.65) CYSLTR2CYSLTR1GRM2CTSDLMNA
SCHEMBL9177346 0.78 CYSLTR2 (0.63) CYSLTR2CYSLTR1CTSD

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-0288189-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-11-11 EP claimed
EP-0288189-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP claimed
EP-0288189-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-11-11 EP disclosed
US-4853398-A ANTIALLERGENS ELI LILLY AND COMPANY (US) 1989-08-01 US disclosed
EP-0288189-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed