SCHEMBL9561489

SCHEMBL9561489

COC(=O)CCSC(c1ccccc1CCCCCCCCc1ccccc1)C(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.62
CYSLTR1 Q9Y271 16/20 0.62

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
SCHEMBL9561427 1.00 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL8925768 0.89 CYSLTR2 (0.78) CYSLTR2CYSLTR1
SCHEMBL9430241 0.86 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL9503905 0.86 CYSLTR2 (0.67) CYSLTR2CYSLTR1
SCHEMBL9357210 0.85 CYSLTR2 (0.66) CYSLTR2CYSLTR1
SCHEMBL9560059 0.85 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL9356898 0.83 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL9561482 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9561419 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9560002 0.83 CYSLTR2 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed