SCHEMBL9843820

SCHEMBL9843820

CCCCc1c(O)nc(CCCC)n(Cc2ccc(-c3ccccc3C#N)cc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.57
APLNR P35414 1/20 0.52
ACHE P22303 1/20 0.51
AGTR1 P30556 2/20 0.51

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
SCHEMBL9843828 0.95 PPARG (0.56) PPARGAPLNRACHEAGTR1
SCHEMBL9844347 0.93 PPARG (0.56) PPARGAPLNRACHEAGTR1
SCHEMBL9844021 0.89 PPARG (0.59) PPARGAGTR1
SCHEMBL9843724 0.89 PPARG (0.59) PPARGAGTR1
SCHEMBL9843803 0.87 PPARG (0.58) PPARGACHEAGTR1
SCHEMBL4010986 0.87 PPARG (0.51) PPARGAGTR1
SCHEMBL1894638 0.85 PPARG (0.56) PPARGACHEAGTR1
SCHEMBL1895410 0.85 PPARG (0.56) PPARGAGTR1
SCHEMBL9844258 0.84 PDE4A (0.69) PPARGAGTR1
SCHEMBL1887811 0.84 PPARG (0.50) PPARGAGTR1

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
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed