SCHEMBL11749695

SCHEMBL11749695

CC(=O)OCC(C)(Oc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.41
▸ PPARA Q07869 7/20 0.40
▸ PPARD Q03181 4/20 0.39
▸ LTA4H P09960 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KCNN4 O15554 2/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 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
SCHEMBL11751579 0.96 KCNN4 (0.39) PPARGPPARAKCNN4
SCHEMBL11749185 0.92 PPARA (0.38) PPARGPPARAPPARDKCNN4MMP1
SCHEMBL11750313 0.88 SMN1; SMN2 (0.41) PPARGPPARAPPARDFNTAFNTB
SCHEMBL11747997 0.87 PPARA (0.47) PPARGPPARALTA4HEPHX2
SCHEMBL11756569 0.87 MAOB (0.51) PPARGPPARAPPARD
SCHEMBL11745178 0.84 MAPT (0.43) PPARGPPARAPPARD
SCHEMBL11752749 0.84 ALDH1A1 (0.39) PPARGPPARAPPARD
SCHEMBL11753871 0.83 PPARA (0.50) PPARGPPARA
SCHEMBL11757005 0.81 PPARG (0.40) PPARGPPARAPPARDLTA4HEPHX2
SCHEMBL11750958 0.81 PPARA (0.38) PPARGPPARAPPARD

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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