SCHEMBL8905983

SCHEMBL8905983

CCCC=CCC=CCCCCCCCc1cccc(C(OC(c2cccc(CCCCCCCC=CCC=CCCC)c2)C2CO2)C2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 1/20 0.39
SPHK2 Q9NRA0 3/20 0.36
SPHK1 Q9NYA1 2/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 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
SCHEMBL8905679 0.93 PPARA (0.47) PPARAPPARGSPHK2SPHK1
SCHEMBL8904567 0.93 PPARA (0.47) PPARAPPARGSPHK2SPHK1
SCHEMBL8906146 0.90 PPARA (0.43) PPARAPPARGSPHK2SPHK1
SCHEMBL8905830 0.89 EP300 (0.37) PPARAPPARG
SCHEMBL8046083 0.86 SPHK2 (0.46) PPARAPPARGSPHK2SPHK1
SCHEMBL8660244 0.86 SPHK2 (0.46) PPARAPPARGSPHK2SPHK1
SCHEMBL12809420 0.75 PPARA (0.55) PPARAPPARGHIF1A
SCHEMBL32675259 0.75 PPARA (0.55) PPARAPPARGHIF1A
SCHEMBL4452302 0.75 PPARA (0.55) PPARAPPARGHIF1A
SCHEMBL8904822 0.74 TAAR1 (0.34) SPHK2SPHK1

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-5683627-A NONCRACKING TOKUYAMA CORPORATION (JP) 1997-11-04 US disclosed