SCHEMBL7816435

SCHEMBL7816435

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 10/20 0.60
▸ CA12 O43570 5/20 0.38
▸ CA9 Q16790 5/20 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
▸ NOD2 Q9HC29 1/20 0.36
▸ MLYCD O95822 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL2984808 0.79 ALOX5 (0.48) ALOX5CA12CA9LMNAALDH2
SCHEMBL5005112 0.79 ALOX5 (0.48) ALOX5CA12CA9LMNAALDH2
SCHEMBL7809015 0.79 ALOX5 (0.61) ALOX5CA12CA9LMNAALDH2
SCHEMBL15215309 0.78 ALOX5 (0.87) ALOX5CA12CA9LMNAALDH2
SCHEMBL2986642 0.72 ALOX5 (0.51) ALOX5CA12CA9LMNAMLYCD
SCHEMBL2986061 0.72 ALOX5 (0.41) ALOX5CA12CA9LMNAALDH2
SCHEMBL2985984 0.70 ALOX5 (0.39) ALOX5CA12CA9LMNAALDH2
SCHEMBL9008988 0.69 ALOX5 (0.44) ALOX5CA12CA9ALDH2AKR1B1
SCHEMBL21648244 0.68 CA12 (0.74) CA12CA9LMNAALDH2AKR1B1
SCHEMBL2989755 0.68 MLYCD (0.51) 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
Send feedback