SCHEMBL9720200

SCHEMBL9720200

CCCCCCCCCCCCCCCCCCOCC(COCCOCCN1C=C[N+](=CCCCCC(=O)[O-])C1)Oc1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.33
PPARA Q07869 4/20 0.33
FABP3 P05413 7/20 0.32
EPHX2 P34913 1/20 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
SCHEMBL10439971 1.00 PPARG (0.33) PPARGPPARAFABP3EPHX2
SCHEMBL9720191 1.00 PPARG (0.33) PPARGPPARAFABP3EPHX2
SCHEMBL9720165 0.95 PPARA (0.32) PPARGPPARA
SCHEMBL9720180 0.95 PPARA (0.32) PPARGPPARA
SCHEMBL9716230 0.93 PPARA (0.31) PPARGPPARA
SCHEMBL9720208 0.93 PPARA (0.30) PPARA
SCHEMBL9716454 0.92 PPARA (0.31) PPARGPPARA
SCHEMBL9716293 0.91 PPARA (0.31) PPARGPPARA
SCHEMBL9720265 0.90
SCHEMBL9716308 0.89 PPARA (0.31) PPARGPPARA

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 4 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 claimed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP claimed
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