SCHEMBL9814058

SCHEMBL9814058

CCCCCc1c(OC)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.61
▸ PTGS2 P35354 4/20 0.61
▸ SLC2A1 P11166 1/20 0.54
▸ PPARA Q07869 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ELANE P08246 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43

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 0.98 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL9814049 0.98 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL9814043 0.98 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL6898660 0.94 ALOX5 (0.53) ALOX5PTGS2SLC2A1PPARASMN1; SMN2
Propionaldehyde SCHEMBL27830455 0.89 ALOX5 (0.51) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL27916839 0.89 PTGS2 (0.68) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL7044011 0.87 ALOX5 (0.61) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL23844202 0.86 ALOX5 (0.51) ALOX5PTGS2SLC2A1PPARASMN1; SMN2
SCHEMBL27894235 0.86 ALOX5 (0.59) ALOX5PTGS2SLC2A1PPARAELANE
SCHEMBL8564056 0.85 CA1 (0.48) ALOX5PTGS2SLC2A1PPARASMN1; SMN2

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-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 — — EP disclosed
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
Send feedback