SCHEMBL11753227

SCHEMBL11753227

CC(CO)(Oc1ccc(COc2ccc(Br)cc2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.50
▸ RXRA P19793 2/20 0.50
▸ RXRB P28702 2/20 0.50
▸ MAOB P27338 3/20 0.49
▸ FFAR1 O14842 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ APP P05067 1/20 0.48
▸ PPARA Q07869 2/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ LTA4H P09960 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL11754896 0.89 MEN1 (0.38) PPARGPPARAPPARDSLC6A2CYP2C19
SCHEMBL11755471 0.88 PPARG (0.49) PPARGMAOBAPPPPARAPPARD
SCHEMBL11751258 0.88 PPARG (0.49) PPARGRXRARXRBMAOBAPP
SCHEMBL11753169 0.84 PPARG (0.40) PPARGPPARALTA4HSLC6A2SLC6A3
SCHEMBL11746557 0.84 ALDH1A1 (0.42) PPARGFFAR1FFAR4PPARAPPARD
SCHEMBL11753421 0.83 MAOB (0.52) PPARGRXRARXRBMAOBFFAR1
SCHEMBL11602402 0.82 PPARG (0.57) PPARGRXRARXRBMAOBFFAR1
SCHEMBL11753637 0.81 MAOB (0.55) PPARGRXRARXRBMAOBFFAR1
Methyl Alcohol SCHEMBL27428217 0.77 LMNA (0.66) RXRARXRBMAOBFFAR1FFAR4
SCHEMBL11752410 0.76 PPARG (0.43) PPARGPPARAPPARDLMNACYP1A2

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
US-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
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