SCHEMBL7775710

SCHEMBL7775710

COc1ccc(C(C)OC/C=C(\C)Cl)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ACHE P22303 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL7775711 1.00 PPARG (0.43) PPARGPPARDPPARAACHECA1
SCHEMBL7775709 1.00 PPARG (0.43) PPARGPPARDPPARAACHECA1
SCHEMBL7775712 0.79 ALDH1A1 (0.47) PPARGPPARDPPARAACHECA1
SCHEMBL7063350 0.70 ACHE (0.50) PPARGPPARDPPARAACHECA1
SCHEMBL27584367 0.70 PPARG (0.44) PPARGPPARDPPARAACHECA1
SCHEMBL27806088 0.69 HIF1A (0.50) PPARGPPARDPPARAACHECA1
SCHEMBL3649536 0.69 PPARG (0.46) PPARGPPARDPPARAACHECA1
SCHEMBL29359121 0.69 PPARG (0.46) PPARGPPARDPPARAACHECA1
SCHEMBL7771974 0.68 PPARG (0.42) PPARGPPARDPPARAACHECA1
SCHEMBL7430435 0.68 PPARG (0.51) PPARGPPARDPPARAACHECA1

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