SCHEMBL9720245

SCHEMBL9720245

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.32
LPAR1 Q92633 6/20 0.32
LPAR3 Q9UBY5 4/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC6A5 Q9Y345 1/20 0.30
ENPP2 Q13822 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
SCHEMBL10439969 0.87 FABP3 (0.34) FABP3LPAR1LPAR3ALDH1A1
SCHEMBL9720200 0.81 PPARG (0.33) FABP3
SCHEMBL9720191 0.81 PPARG (0.33) FABP3
SCHEMBL10439971 0.81 PPARG (0.33) FABP3
SCHEMBL9720165 0.76 PPARA (0.32)
SCHEMBL9720180 0.76 PPARA (0.32)
SCHEMBL9716230 0.76 PPARA (0.31)
SCHEMBL9716454 0.76 PPARA (0.31)
SCHEMBL9720208 0.74 PPARA (0.30)
SCHEMBL9716293 0.74 PPARA (0.31)

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