SCHEMBL9720180

SCHEMBL9720180

CCCCCCCCCCCCCCCCCCOCC(COCCOCCOCCN1C=C[N+](=CCCC(=O)[O-])C1)Oc1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.32
PPARG P37231 3/20 0.31
TLR2 O60603 1/20 0.30

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
SCHEMBL9720165 1.00 PPARA (0.32) PPARAPPARGTLR2
SCHEMBL9720191 0.95 PPARG (0.33) PPARAPPARG
SCHEMBL10439971 0.95 PPARG (0.33) PPARAPPARG
SCHEMBL9720200 0.95 PPARG (0.33) PPARAPPARG
SCHEMBL9720208 0.92 PPARA (0.30) PPARA
SCHEMBL9716437 0.92
SCHEMBL9720281 0.89
SCHEMBL9716230 0.88 PPARA (0.31) PPARAPPARG
SCHEMBL9716454 0.87 PPARA (0.31) PPARAPPARGTLR2
SCHEMBL9720195 0.87

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed