SCHEMBL9428261

SCHEMBL9428261

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.46
LTB4R Q15722 4/20 0.45
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
PLA2G4B P0C869 1/20 0.40
FOLH1 Q04609 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39

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
SCHEMBL9429208 0.90 PTPN11 (0.47) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9427799 0.90 PTPN11 (0.47) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9429136 0.90 CYSLTR2 (0.51) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9428685 0.89 PTPN11 (0.46) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9428048 0.89 PTPN11 (0.46) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9428953 0.89 CYSLTR2 (0.52) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9429601 0.89 CYSLTR2 (0.53) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9428150 0.88 CYSLTR2 (0.48) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9428702 0.88 CYSLTR2 (0.48) PTPN11LTB4RALDH1A1HPGDCYSLTR2
SCHEMBL9428678 0.88 CYSLTR2 (0.48) PTPN11LTB4RALDH1A1HPGDCYSLTR2

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