SCHEMBL10448490

SCHEMBL10448490

CCCCCCCCCCC(C)c1ccccc1C(SCCNC=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.38
CYSLTR1 Q9Y271 11/20 0.38
NAAA Q02083 3/20 0.37
EPHX1 P07099 3/20 0.36
EGFR P00533 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10435471 0.89 PPARG (0.37) CYSLTR2CYSLTR1EPHX1ADH1BADH1C
SCHEMBL9560003 0.83 CYSLTR2 (0.54) CYSLTR2CYSLTR1
SCHEMBL10448807 0.81 PPARG (0.48) CYSLTR2CYSLTR1ALDH1A1
SCHEMBL10448312 0.80 CYSLTR2 (0.40) CYSLTR2CYSLTR1ALDH1A1
SCHEMBL10704682 0.74 CYSLTR2 (0.37) CYSLTR2CYSLTR1ALDH1A1
SCHEMBL10435389 0.74 CYSLTR2 (0.52) CYSLTR2CYSLTR1
SCHEMBL9560302 0.73 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL10435614 0.72 PPARG (0.48) CYSLTR2CYSLTR1
SCHEMBL10424207 0.72 PPARG (0.47) CYSLTR2CYSLTR1ALDH1A1
SCHEMBL10448811 0.71 CYP3A4 (0.41) CYSLTR2CYSLTR1ALDH1A1

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-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP disclosed