SCHEMBL7809015

SCHEMBL7809015

O=c1cc(-c2ccc(F)cc2)c2ccc(S(=O)(=O)c3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.61
▸ CA12 O43570 6/20 0.38
▸ CA9 Q16790 6/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH2 P05091 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ SORD Q00796 1/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ NOD2 Q9HC29 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ERAP1 Q9NZ08 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
SCHEMBL7816435 0.79 ALOX5 (0.60) ALOX5CA12CA9LMNAALDH2
SCHEMBL15215309 0.79 ALOX5 (0.87) ALOX5CA12CA9LMNAALDH2
SCHEMBL2989755 0.78 MLYCD (0.51) ALOX5CA12CA9LMNAALDH2
SCHEMBL5960294 0.72 ALOX5 (0.46) ALOX5CA12CA9KDM4EALDH1A1
SCHEMBL2975435 0.71 ALOX5 (0.51) ALOX5CA12CA9LMNAKDM4E
SCHEMBL2979312 0.71 ALOX5 (0.41) ALOX5CA12CA9LMNA
SCHEMBL21648244 0.69 CA12 (0.74) CA12CA9LMNAALDH2AKR1B1
SCHEMBL2989905 0.69 ALOX5 (0.39) ALOX5CA12CA9LMNAALDH2
SCHEMBL2984808 0.69 ALOX5 (0.48) ALOX5CA12CA9LMNAALDH2
SCHEMBL5005112 0.69 ALOX5 (0.48) ALOX5CA12CA9LMNAALDH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 — — EP disclosed
EP-0788490-B1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2000-07-05 — — EP disclosed
EP-0788490-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 — — EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 — — US disclosed
US-5527827-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-06-18 — — US disclosed
WO-1996013491-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — WO disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — WO disclosed
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