SCHEMBL7809239

SCHEMBL7809239

N#Cc1cc(-c2ccoc2)c2ccc(CO)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.49
PLAU P00749 1/20 0.36
XDH P47989 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
CSNK2A1 P68400 1/20 0.35
FYN P06241 1/20 0.34
KDM1A O60341 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 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
SCHEMBL7816757 0.83 ALOX5 (0.49) ALOX5XDHSLC22A12
SCHEMBL7813258 0.80 ALOX5 (0.45) ALOX5XDHSLC22A12KDM1AADORA1
SCHEMBL7812869 0.80 ALOX5 (0.45) ALOX5XDHSLC22A12ADORA1
SCHEMBL9140071 0.78 ALOX5 (0.49) ALOX5
SCHEMBL7812804 0.75 ALOX5 (0.46) ALOX5PLAUXDHSLC22A12ADORA1
SCHEMBL7803620 0.75 ALOX5 (0.44) ALOX5ADORA2BADORA1
SCHEMBL7812678 0.71 ALOX5 (0.47) ALOX5XDHSLC22A12
SCHEMBL9009008 0.70 ALOX5 (0.67) ALOX5
SCHEMBL7809116 0.69 ALOX5 (0.37) ALOX5PLAUXDHSLC22A12
SCHEMBL9009118 0.68 ALOX5 (0.42) ALOX5XDHSLC22A12ADORA1

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-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed