SCHEMBL27377441

SCHEMBL27377441

CC(C)(C)OC(=O)N(CCCCOCC=O)Cc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SCN3A Q9NY46 2/20 0.35
HTR4 Q13639 3/20 0.35
ROCK2 O75116 1/20 0.34
CA14 Q9ULX7 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL27374719 0.89 CA14 (0.36) L3MBTL1PPARDPPARASCN3AHTR4
SCHEMBL29900237 0.89 PPARD (0.38) L3MBTL1PPARDPPARASCN3AHTR4
SCHEMBL27321821 0.88 SCN3A (0.37) PPARDPPARASCN3AHTR4ROCK2
SCHEMBL25371226 0.86 L3MBTL1 (0.35) L3MBTL1PPARDPPARASCN3AHTR4
SCHEMBL25371224 0.86 L3MBTL1 (0.35) L3MBTL1PPARDPPARASCN3AHTR4
SCHEMBL30869094 0.86 SCN3A (0.38) PPARDPPARASCN3AROCK2HCRTR1
SCHEMBL30694800 0.86 CA14 (0.40) PPARDPPARASCN3AROCK2CA14
SCHEMBL26049694 0.86 CA14 (0.40) PPARDPPARASCN3AROCK2CA14
SCHEMBL29900268 0.85 SCN3A (0.39) PPARDPPARASCN3AROCK2CA14
SCHEMBL26048981 0.85 SCN3A (0.39) PPARDPPARASCN3AROCK2CA14

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
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed