SCHEMBL8906146

SCHEMBL8906146

CCCCCC=CCCCc1cccc(C(OC(c2cccc(CCCC=CCCCCC)c2)C2CO2)C2CO2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
PPARG P37231 1/20 0.41
PTGIR P43119 1/20 0.40
SPHK2 Q9NRA0 3/20 0.38
SPHK1 Q9NYA1 2/20 0.38

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 0.97 PPARA (0.47) PPARAPPARGPTGIRSPHK2SPHK1
SCHEMBL8904567 0.97 PPARA (0.47) PPARAPPARGPTGIRSPHK2SPHK1
SCHEMBL8905983 0.90 PPARA (0.41) PPARAPPARGSPHK2SPHK1
SCHEMBL8660244 0.89 SPHK2 (0.46) PPARAPPARGSPHK2SPHK1
SCHEMBL8046083 0.89 SPHK2 (0.46) PPARAPPARGSPHK2SPHK1
SCHEMBL8905830 0.83 EP300 (0.37) PPARAPPARG
SCHEMBL7752350 0.79 FAAH (0.33) PPARA
SCHEMBL8904822 0.77 TAAR1 (0.34) SPHK2SPHK1
SCHEMBL10411867 0.73 THRA (0.49) SPHK2SPHK1
SCHEMBL7871491 0.73 THRA (0.49) 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