SCHEMBL8905830

SCHEMBL8905830

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
PPARA Q07869 4/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL8905983 0.89 PPARA (0.41) PPARAPPARG
SCHEMBL8904567 0.87 PPARA (0.47) PPARAPPARG
SCHEMBL8905679 0.87 PPARA (0.47) PPARAPPARG
SCHEMBL8906146 0.83 PPARA (0.43) PPARAPPARG
SCHEMBL8046083 0.79 SPHK2 (0.46) PPARAPPARG
SCHEMBL8660244 0.79 SPHK2 (0.46) PPARAPPARG
SCHEMBL17263526 0.75 ALDH1A1 (0.50) EP300KAT2BKAT5KAT8PPARA
SCHEMBL22610063 0.75 ALDH1A1 (0.50) EP300KAT2BKAT5KAT8PPARA
SCHEMBL29983667 0.75 ALDH1A1 (0.50) EP300KAT2BKAT5KAT8PPARA
Cardanol SCHEMBL4173456 0.71 CBS (0.53) EP300KAT2BKAT5KAT8

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