SCHEMBL7809055

SCHEMBL7809055

O=C(CCOCc1ccccc1)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
CTNNB1 P35222 4/20 0.46
WNT3A P56704 4/20 0.46
GPR52 Q9Y2T5 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
BCHE P06276 1/20 0.43
PTPN1 P18031 1/20 0.43
MAOB P27338 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
SCHEMBL20835784 0.92 BCHE (0.47) NR4A2CTNNB1WNT3AGPR52KDM4E
SCHEMBL7809052 0.91 NR4A2 (0.53) NR4A2GPR52KDM4ENPC1MAPT
SCHEMBL28680772 0.85 NR4A2 (0.49) NR4A2GPR52KDM4EMEN1NPC1
SCHEMBL4431130 0.85 TDP1 (0.55) NR4A2KDM4EMEN1NPC1LMNA
SCHEMBL29579853 0.80 GPR52 (0.58) CTNNB1WNT3AGPR52KDM4EMEN1
SCHEMBL28128458 0.80 GPR52 (0.58) CTNNB1WNT3AGPR52KDM4EMEN1
SCHEMBL31103878 0.80 FAAH (0.40) MEN1TSHRKMT2APTPN1
SCHEMBL20835376 0.79 CES2 (0.46) NR4A2GPR52MEN1KMT2ACES2
SCHEMBL1515848 0.77 CES2 (0.55) NR4A2GPR52KDM4EMEN1NPC1
SCHEMBL28680774 0.77 NR4A2 (0.56) NR4A2GPR52KDM4ELMNAMAPT

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 10 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
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES 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
US-5202326-A Inhibitor of enzyme 5-lipoxygenase; antiinflammatory and antiallergic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-13 US disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP disclosed