SCHEMBL12757495

SCHEMBL12757495

Bc1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(BOCCO)ccc1-2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 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
SCHEMBL16261010 0.87 PDK2 (0.33) PDK2
SCHEMBL21531690 0.87 PDK2 (0.33) PDK2
SCHEMBL13892133 0.80 MMP2 (0.36) PDK2
SCHEMBL16374270 0.80 MMP2 (0.36) PDK2
SCHEMBL22538878 0.79
SCHEMBL14304610 0.77 PDK2 (0.30) PDK2
SCHEMBL11888315 0.75 MMP2 (0.33) PDK2
SCHEMBL21531689 0.74
SCHEMBL19176384 0.74
SCHEMBL21527512 0.74 CNR1 (0.36) 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-20110077373-A1 POLYMER AND OPTOELECTRONIC DEVICE COMPRISING THE SAME GENERAL ELECTRIC COMPANY (US) 2011-03-31 US disclosed