SCHEMBL9504760

SCHEMBL9504760

CC(SC(CC(=O)O)c1cc(C(F)(F)F)ccc1CCCCCCCCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.54
CYSLTR1 Q9Y271 4/20 0.54
EEF2K O00418 4/20 0.38
MCL1 Q07820 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PPARG P37231 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
LARS1 Q9P2J5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9503601 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1LARS1
SCHEMBL9560085 0.78 CYSLTR2 (0.79) CYSLTR2CYSLTR1
SCHEMBL10431544 0.74 CYSLTR2 (0.47) CYSLTR2CYSLTR1CYP1A2CYP2C19
SCHEMBL9504777 0.73 CYSLTR2 (0.57) CYSLTR2CYSLTR1CYP1A2CYP2D6CYP2C19
SCHEMBL9506696 0.73 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL9560197 0.71 CYSLTR2 (0.65) CYSLTR2CYSLTR1MCL1
SCHEMBL10482165 0.70 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9560077 0.70 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL9505621 0.70 CYSLTR2 (0.58) CYSLTR2CYSLTR1TP53CYP1A2CYP3A4
SCHEMBL9506708 0.69 CYSLTR2 (0.52) CYSLTR2CYSLTR1TP53CYP1A2CYP3A4

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 2 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