SCHEMBL10482240

SCHEMBL10482240

O=C(O)CCSC(SCCC(=O)O)c1ccccc1OCCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 1.00
CYSLTR1 Q9Y271 18/20 1.00

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
SCHEMBL9559866 0.87 CYSLTR2 (0.77) CYSLTR2CYSLTR1
SCHEMBL10482137 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10482248 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10482194 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10482179 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10448754 0.81 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL10815496 0.80 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL10482208 0.78 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL10482210 0.77 CYSLTR2 (0.63) CYSLTR2CYSLTR1
SCHEMBL10588977 0.77 CYSLTR2 (0.84) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4730005-A DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1988-03-08 US claimed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 EP claimed
US-4871771-A PHENYL SUBSTITUTED-DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-03 US disclosed
EP-0327306-A2 Leukotriene B4 antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-08-09 EP disclosed
US-4730005-A DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1988-03-08 US disclosed
EP-0168902-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-09-30 EP disclosed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 EP disclosed