SCHEMBL8629212

SCHEMBL8629212

CCOC(=O)c1ccccc1CCC(=O)c1cccc(/C=C/c2ccc3cc(F)c(F)cc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 6/20 0.44
▸ CYSLTR1 Q9Y271 6/20 0.44
▸ PTPRC P08575 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8629215 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTPRCPTPN1SMN1; SMN2
SCHEMBL8633946 0.83 CYSLTR1 (0.41) CYSLTR2CYSLTR1
SCHEMBL8633949 0.83 CYSLTR1 (0.41) CYSLTR2CYSLTR1
SCHEMBL9174756 0.83 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTPRCPTPN1
SCHEMBL9174760 0.83 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTPRCPTPN1
SCHEMBL9108247 0.83 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTPRCPTPN1SMN1; SMN2
SCHEMBL9108250 0.83 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTPRCPTPN1SMN1; SMN2
SCHEMBL201961 0.79 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL30497375 0.79 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL29517073 0.79 CYSLTR2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565185-B1 Quinoline derivatives as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-07-08 — — EP disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
WO-1993021159-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 — — WO disclosed
EP-0565185-A1 Quinoline derivatives as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1993-10-13 — — EP disclosed
Send feedback