SCHEMBL9711392

SCHEMBL9711392

CCCc1c(COc2ccc(C(O)c3cccc(-c4nnn[nH]4)c3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.56
CYSLTR1 Q9Y271 18/20 0.56
CTSD P07339 2/20 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
SCHEMBL9711393 0.87 CYSLTR1 (0.59) CYSLTR2CYSLTR1CTSD
SCHEMBL9711384 0.86 CYSLTR2 (0.59) CYSLTR2CYSLTR1CTSD
SCHEMBL9177390 0.85 CYSLTR2 (0.69) CYSLTR2CYSLTR1CTSD
SCHEMBL9506488 0.85 CYSLTR2 (0.68) CYSLTR2CYSLTR1CTSD
SCHEMBL9506508 0.85 CYSLTR2 (0.68) CYSLTR2CYSLTR1CTSD
SCHEMBL9179953 0.83 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSD
SCHEMBL9711396 0.83 CYSLTR2 (0.66) CYSLTR2CYSLTR1CTSD
SCHEMBL9711409 0.81 CYSLTR2 (0.67) CYSLTR2CYSLTR1CTSD
SCHEMBL481234 0.81 CYSLTR1 (0.41) CYSLTR2CYSLTR1
SCHEMBL481262 0.81 CYSLTR1 (0.41) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853398-A ANTIALLERGENS ELI LILLY AND COMPANY (US) 1989-08-01 US 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