SCHEMBL13538685

SCHEMBL13538685

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C(=O)C(=NOC(C)=O)C(=O)c3ccc4c(c3)c(OC)c(OC)c3ccccc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.32
▸ CTSD P07339 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL13538673 0.89 PDK2 (0.38) PDK2
SCHEMBL26818789 0.79 PDK2 (0.39) PDK2
SCHEMBL18235853 0.79 PDK2 (0.39) PDK2
SCHEMBL24490481 0.78 PDK2 (0.36) PDK2
SCHEMBL14768863 0.77 PDK2 (0.45) PDK2
SCHEMBL24490462 0.77 PDK2 (0.36) PDK2
SCHEMBL24490485 0.77 PDK2 (0.36) PDK2
SCHEMBL16556664 0.77 PDK2 (0.42) PDK2
SCHEMBL13497474 0.75 PDK2 (0.42) PDK2
SCHEMBL27749884 0.75 GPR3 (0.38) PDK2

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-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 — — US disclosed
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