SCHEMBL9504777

SCHEMBL9504777

CC(SC(c1ccccc1CCCCCCCCc1ccccc1)C(O)C(=O)O)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.57
CYSLTR1 Q9Y271 9/20 0.57
LARS1 Q9P2J5 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.35
LTB4R Q15722 1/20 0.35

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
SCHEMBL9504779 0.90 CYSLTR2 (0.59) CYSLTR2CYSLTR1CYP2C9CYP2C19CYP2D6
SCHEMBL29090154 0.84 CYSLTR2 (0.66) CYSLTR2CYSLTR1CYP2C9CYP2C19CYP2D6
SCHEMBL9503588 0.83 CYSLTR2 (0.46) CYSLTR2CYSLTR1LARS1
SCHEMBL9503926 0.79 CYSLTR2 (0.37) CYSLTR2CYSLTR1LARS1CYP2C9CYP2C19
SCHEMBL10431544 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1CYP2C9CYP2C19ALDH1A1
SCHEMBL9503601 0.76 CYSLTR2 (0.48) CYSLTR2CYSLTR1LARS1
SCHEMBL9561465 0.75 CYSLTR2 (0.54) CYSLTR2CYSLTR1LTB4R
SCHEMBL8925768 0.73 CYSLTR2 (0.78) CYSLTR2CYSLTR1
Pobilukast SCHEMBL125952 0.73 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL29473536 0.73 CYSLTR2 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP claimed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US claimed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP claimed
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