SCHEMBL8624692

SCHEMBL8624692

CCOC(=O)C(C)(C)CCCOc1ccc(CCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
S1PR1 P21453 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 1/20 0.44
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8621200 0.89 PPARA (0.49) PPARACYP4F2CYP4A11
SCHEMBL8617055 0.88 CYP4F2 (0.52) PPARACYP4F2CYP4A11S1PR1S1PR4
SCHEMBL10459179 0.87 S1PR1 (0.46) PPARACYP4F2CYP4A11S1PR1S1PR4
SCHEMBL9786303 0.84 CYP4F2 (0.54) PPARACYP4F2CYP4A11L3MBTL1
SCHEMBL8057272 0.84 PPARA (0.63) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL10457436 0.82 PPARA (0.49) PPARACYP4F2CYP4A11L3MBTL1
SCHEMBL5892307 0.81 PPARA (0.49) PPARACYP4F2CYP4A11
SCHEMBL10459356 0.81 PPARA (0.49) PPARACYP4F2CYP4A11LMNA
SCHEMBL22922179 0.80 CYP4F2 (0.57) PPARACYP4F2CYP4A11
SCHEMBL10459075 0.80 L3MBTL1 (0.59) PPARACYP4F2CYP4A11LMNAL3MBTL1

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-5734077-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, TREATMENT OF DIABETES AND ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 1998-03-31 US disclosed