SCHEMBL9716293

SCHEMBL9716293

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCCOCCCN1C=C[N+](=CCCCCC(=O)[O-])C1)Oc1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.31
PPARG P37231 2/20 0.31

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
SCHEMBL9716230 0.95 PPARA (0.31) PPARAPPARG
SCHEMBL9720191 0.91 PPARG (0.33) PPARAPPARG
SCHEMBL9720200 0.91 PPARG (0.33) PPARAPPARG
SCHEMBL10439971 0.91 PPARG (0.33) PPARAPPARG
SCHEMBL10436740 0.88
SCHEMBL9716308 0.87 PPARA (0.31) PPARAPPARG
SCHEMBL9716454 0.86 PPARA (0.31) PPARAPPARG
SCHEMBL9720180 0.86 PPARA (0.32) PPARAPPARG
SCHEMBL9720165 0.86 PPARA (0.32) PPARAPPARG
SCHEMBL9716435 0.84 FAAH (0.33)

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed