SCHEMBL9429601

SCHEMBL9429601

CCCCCCCCCCCCOc1ccc(OC)cc1C(Sc1cccc(C(=O)O)c1)C(O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
PTPN11 Q06124 2/20 0.46
LTB4R Q15722 3/20 0.45
PLA2G4B P0C869 4/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL9429136 0.90 CYSLTR2 (0.51) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9427799 0.90 PTPN11 (0.47) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9429208 0.90 PTPN11 (0.47) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428048 0.89 PTPN11 (0.46) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428261 0.89 PTPN11 (0.46) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428685 0.89 PTPN11 (0.46) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428953 0.89 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428702 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428678 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B
SCHEMBL9428150 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1PTPN11LTB4RPLA2G4B

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
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed