SCHEMBL10704682

SCHEMBL10704682

CCCCCCCCCCC(C)c1ccccc1C(SCCc1nnn[nH]1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.37
CYSLTR1 Q9Y271 15/20 0.37
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10703842 0.90 PPARG (0.34) CYSLTR2CYSLTR1PPARG
SCHEMBL9484780 0.86 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL10448312 0.76 CYSLTR2 (0.40) CYSLTR2CYSLTR1PTGESALOX5PPARG
SCHEMBL10448807 0.75 PPARG (0.48) CYSLTR2CYSLTR1PPARGALDH1A1
SCHEMBL10448490 0.74 CYSLTR2 (0.38) CYSLTR2CYSLTR1ALDH1A1
SCHEMBL10435389 0.68 CYSLTR2 (0.52) CYSLTR2CYSLTR1PPARG
SCHEMBL9560009 0.68 CYSLTR2 (0.61) CYSLTR2CYSLTR1
SCHEMBL6684349 0.67 CSNK1E (0.42) CYSLTR2CYSLTR1PPARGALDH1A1
SCHEMBL10448636 0.67 SLC6A2 (0.38) ALDH1A1
SCHEMBL10435614 0.67 PPARG (0.48) CYSLTR2CYSLTR1PPARG

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-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed