SCHEMBL9814043

SCHEMBL9814043

CCCCCCc1c(OC)cccc1OC

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.59
PTGS2 P35354 7/20 0.59
SLC2A1 P11166 1/20 0.56
PPARA Q07869 1/20 0.55
KCNH2 Q12809 2/20 0.47
ELANE P08246 1/20 0.46

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
SCHEMBL9814061 1.00 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAKCNH2
SCHEMBL9814049 1.00 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAKCNH2
SCHEMBL9814058 0.98 ALOX5 (0.61) ALOX5PTGS2SLC2A1PPARAKCNH2
SCHEMBL6898660 0.92 ALOX5 (0.53) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL23844202 0.88 ALOX5 (0.51) ALOX5PTGS2SLC2A1PPARAKCNH2
Propionaldehyde SCHEMBL27830455 0.88 ALOX5 (0.51) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL27894235 0.88 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL27916839 0.87 PTGS2 (0.68) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL7044011 0.85 ALOX5 (0.61) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL8564056 0.83 CA1 (0.48) ALOX5PTGS2SLC2A1PPARAELANE

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-0295882-B1 PROCESS FOR INTERMEDIATES TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
EP-0295882-A1 Process for intermediates to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-12-21 EP disclosed
US-4777299-A Process for leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-11 US disclosed