SCHEMBL11752678

SCHEMBL11752678

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.38
▸ KCNN4 O15554 2/20 0.38
▸ SLC6A4 P31645 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ CCR6 P51684 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 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
SCHEMBL11757005 0.95 PPARG (0.40) PPARASLC6A4PPARG
SCHEMBL11749170 0.95 PPARA (0.39) PPARAKCNN4SLC6A4ALDH1A1PPARG
SCHEMBL11755471 0.89 PPARG (0.49) PPARAALDH1A1PPARGMEN1KMT2A
SCHEMBL11754896 0.85 MEN1 (0.38) PPARASLC6A4ALDH1A1ALOX15PPARG
SCHEMBL11752410 0.85 PPARG (0.43) PPARAALDH1A1ALOX15PPARGCYP1A2
SCHEMBL11750435 0.83 PPARA (0.50) PPARAALDH1A1ALOX15PPARGMEN1
SCHEMBL11753169 0.81 PPARG (0.40) PPARASLC6A4PPARGMEN1KMT2A
SCHEMBL11746557 0.81 ALDH1A1 (0.42) PPARASLC6A4ALDH1A1ALOX15PPARG
SCHEMBL11747760 0.80 PPARA (0.47) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL11752082 0.80 PPARA (0.47) PPARASLC6A4PPARGMEN1KMT2A

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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