SCHEMBL8905679

SCHEMBL8905679

CCCCCCC=CCCCCCCCc1cccc(C(OC(c2cccc(CCCCCCCC=CCCCCCC)c2)C2CO2)C2CO2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.47
PPARG P37231 2/20 0.45
SPHK2 Q9NRA0 3/20 0.42
SPHK1 Q9NYA1 2/20 0.42
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PTGIR P43119 1/20 0.37

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
SCHEMBL8904567 1.00 PPARA (0.47) PPARAPPARGSPHK2SPHK1LPL
SCHEMBL8906146 0.97 PPARA (0.43) PPARAPPARGSPHK2SPHK1PTGIR
SCHEMBL8905983 0.93 PPARA (0.41) PPARAPPARGSPHK2SPHK1
SCHEMBL8660244 0.93 SPHK2 (0.46) PPARAPPARGSPHK2SPHK1LPL
SCHEMBL8046083 0.93 SPHK2 (0.46) PPARAPPARGSPHK2SPHK1LPL
SCHEMBL8905830 0.87 EP300 (0.37) PPARAPPARG
SCHEMBL7752350 0.80 FAAH (0.33) PPARA
SCHEMBL10411867 0.78 THRA (0.49) SPHK2SPHK1LPLLIPG
SCHEMBL7871491 0.78 THRA (0.49) SPHK2SPHK1LPLLIPG
SCHEMBL27082092 0.78 THRA (0.49) SPHK2SPHK1LPLLIPG

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