SCHEMBL9561465

SCHEMBL9561465

CC(SC(c1ccccc1CCCCCCCCc1ccccc1)C(O)C(=O)O)C(=O)OCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.54
CYSLTR1 Q9Y271 4/20 0.54
CHRM1 P11229 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R Q15722 1/20 0.37

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
SCHEMBL29090154 0.84 CYSLTR2 (0.66) CYSLTR2CYSLTR1LTB4R
SCHEMBL9504779 0.77 CYSLTR2 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL9504777 0.75 CYSLTR2 (0.57) CYSLTR2CYSLTR1LTB4R
SCHEMBL9301491 0.72 CYSLTR2 (0.78) CYSLTR2CYSLTR1LTB4R
SCHEMBL10459640 0.71 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL9561170 0.71 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL10475509 0.71 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL9561626 0.71 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL9561165 0.71 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL9428546 0.71 CYSLTR2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US claimed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP claimed
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