SCHEMBL9506696

SCHEMBL9506696

COC(=O)CC(SCCC(=O)O)c1cc(C(F)(F)F)ccc1CCCCCCCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.71
CYSLTR1 Q9Y271 15/20 0.71
RXRA P19793 3/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL9560077 0.91 CYSLTR2 (0.69) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560085 0.91 CYSLTR2 (0.79) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10482165 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9505621 0.83 CYSLTR2 (0.58) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9561482 0.80 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9561419 0.80 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9506690 0.80 CYSLTR2 (0.66) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9506708 0.78 CYSLTR2 (0.52) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9506698 0.78 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL9503586 0.78 CYSLTR2 (0.79) 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
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed