SCHEMBL11757005

SCHEMBL11757005

CC(CO)(Oc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.40
▸ PPARA Q07869 6/20 0.39
▸ PPARD Q03181 4/20 0.39
▸ LTA4H P09960 3/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL11752678 0.95 PPARA (0.38) PPARGPPARASLC6A4
SCHEMBL11749170 0.91 PPARA (0.39) PPARGPPARAPPARDFFAR1HTR2A
SCHEMBL11753169 0.86 PPARG (0.40) PPARGPPARALTA4HPDK1PDK2
SCHEMBL11752082 0.85 PPARA (0.47) PPARGPPARALTA4HEPHX2HTR2A
SCHEMBL11755471 0.85 PPARG (0.49) PPARGPPARAPPARDLTA4HEPHX2
SCHEMBL11749695 0.81 PPARG (0.41) PPARGPPARAPPARDLTA4HEPHX2
SCHEMBL11754896 0.81 MEN1 (0.38) PPARGPPARAPPARDSLC6A4
SCHEMBL11752410 0.81 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL11750435 0.80 PPARA (0.50) PPARGPPARAHTR2A
SCHEMBL11746557 0.77 ALDH1A1 (0.42) PPARGPPARAPPARDFFAR1SLC6A4

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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