SCHEMBL7773646

SCHEMBL7773646

CC#CCOC(CC)c1ccc(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
ACHE P22303 4/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
HIF1A Q16665 2/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
EPAS1 Q99814 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL11864200 0.83 PPARG (0.43) PDE4BPPARGPPARDPPARAACHE
SCHEMBL29359121 0.83 PPARG (0.46) PDE4BPPARGPPARDPPARAACHE
SCHEMBL3649536 0.83 PPARG (0.46) PDE4BPPARGPPARDPPARAACHE
SCHEMBL7767980 0.81 PPARG (0.48) PDE4BPPARGPPARDPPARAACHE
SCHEMBL4063519 0.77 PPARG (0.51) PPARGPPARDPPARAACHECA2
SCHEMBL7773862 0.72 PPARG (0.44) PDE4BPPARGPPARDPPARAACHE
SCHEMBL7772143 0.71 TUBB4A (0.44) PDE4BPPARGPPARDPPARALMNA
SCHEMBL7767993 0.71 TSHR (0.50) ACHEALOX12TSHRGAA
SCHEMBL10413523 0.69 PPARG (0.47) PDE4BPPARGPPARDPPARAACHE
SCHEMBL1276460 0.69 CA2 (0.53) PDE4BACHECA2CA1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939749-B1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2001-07-18 EP disclosed