SCHEMBL29900237

SCHEMBL29900237

CCCOCCCCN(Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC2 Q92769 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
SCN3A Q9NY46 1/20 0.36
ATM Q13315 1/20 0.35
ROCK2 O75116 1/20 0.35
CA14 Q9ULX7 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTR4 Q13639 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
EPHX2 P34913 1/20 0.33

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 0.93 CA14 (0.36) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL27377441 0.89 L3MBTL1 (0.38) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL25371226 0.88 L3MBTL1 (0.35) PPARDPPARAL3MBTL1SCN3AROCK2
SCHEMBL25371224 0.88 L3MBTL1 (0.35) PPARDPPARAL3MBTL1SCN3AROCK2
SCHEMBL30694800 0.87 CA14 (0.40) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL26049694 0.87 CA14 (0.40) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL29900268 0.86 SCN3A (0.39) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL26048981 0.86 SCN3A (0.39) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL30869138 0.86 SSTR4 (0.39) PPARDPPARAHDAC1HDAC3HDAC2
SCHEMBL27321821 0.83 SCN3A (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301752-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2024-01-10 EP disclosed
WO-2022185041-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2022-09-09 WO disclosed