SCHEMBL8617485

SCHEMBL8617485

CCOC(=O)C(C)(C)CCCOc1ccc(CCSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.37
S1PR1 P21453 3/20 0.36
S1PR4 O95977 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ELANE P08246 1/20 0.35
PPARG P37231 2/20 0.34
LTA4H P09960 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TBXAS1 P24557 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8049899 0.88 PPARA (0.50) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL8039541 0.82 PPARA (0.49) PPARACYP4F2CYP4A11PPARGTDP1
SCHEMBL8617696 0.79 PPARA (0.54) PPARACYP4F2CYP4A11PPARGTDP1
SCHEMBL8617055 0.78 CYP4F2 (0.52) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL8620438 0.78 PPARA (0.48) PPARACYP4F2CYP4A11PPARGTDP1
SCHEMBL10459179 0.77 S1PR1 (0.46) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL8624692 0.77 PPARA (0.45) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL9042925 0.75 HRH2 (0.37) TDP1L3MBTL1
SCHEMBL8619033 0.74 PPARA (0.54) PPARAPPARG
SCHEMBL8768773 0.74 PPARA (0.54) PPARAPPARG

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