SCHEMBL11751579

SCHEMBL11751579

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.39
▸ PPARA Q07869 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARG P37231 4/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CHRM3 P20309 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL11749695 0.96 PPARG (0.41) KCNN4PPARAPPARG
SCHEMBL11749185 0.96 PPARA (0.38) KCNN4PPARAALDH1A1PPARGCNR1
SCHEMBL11756569 0.91 MAOB (0.51) PPARAALDH1A1PPARGMAOBLMNA
SCHEMBL11752749 0.87 ALDH1A1 (0.39) PPARAALDH1A1PPARGCYP2C19HIF1A
SCHEMBL11745178 0.87 MAPT (0.43) PPARAALDH1A1PPARGCYP2C19LMNA
SCHEMBL11753871 0.86 PPARA (0.50) PPARAALDH1A1PPARGCNR1CYP2C19
SCHEMBL11750958 0.84 PPARA (0.38) PPARAALDH1A1PPARGCYP2C19LMNA
SCHEMBL11750313 0.84 SMN1; SMN2 (0.41) PPARAALDH1A1PPARGLMNAL3MBTL1
SCHEMBL11747997 0.83 PPARA (0.47) PPARAPPARGCNR1CYP2C19LMNA
SCHEMBL11750749 0.83 PPARA (0.47) PPARAPPARGCNR1CYP2C19LMNA

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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