SCHEMBL9503926

SCHEMBL9503926

COC(=O)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(SC(C)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.37
CYSLTR1 Q9Y271 4/20 0.37
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LARS1 Q9P2J5 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
POLB P06746 2/20 0.32
BCL2 P10415 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9503559 0.81 CYSLTR2 (0.56) CYSLTR2CYSLTR1
SCHEMBL9507465 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL9504777 0.79 CYSLTR2 (0.57) CYSLTR2CYSLTR1ALDH1A1LARS1CYP1A2
SCHEMBL9503588 0.73 CYSLTR2 (0.46) CYSLTR2CYSLTR1LARS1
SCHEMBL9504779 0.70 CYSLTR2 (0.59) CYSLTR2CYSLTR1CYP2C9CYP2C19POLB
SCHEMBL9503601 0.68 CYSLTR2 (0.48) CYSLTR2CYSLTR1LARS1
SCHEMBL10431544 0.68 CYSLTR2 (0.47) CYSLTR2CYSLTR1ALDH1A1HPGDCYP1A2
SCHEMBL9560059 0.66 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL9428546 0.65 CYSLTR2 (0.51) CYSLTR2CYSLTR1
SCHEMBL9428542 0.65 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 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