SCHEMBL18947677

SCHEMBL18947677

Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(CO)cc4)ccc2-3)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.59
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL19116716 0.88 PDK2 (0.62) PDK2ESR1ESR2
SCHEMBL18947674 0.84 PDK2 (0.58) PDK2ESR1ESR2
SCHEMBL25685552 0.83 PDK2 (0.46) PDK2
SCHEMBL5846726 0.80 PDK2 (0.63) PDK2ESR1ESR2
SCHEMBL12938366 0.79 PDK2 (0.54) PDK2
SCHEMBL22891848 0.79 PDK2 (0.54) PDK2ESR1ESR2
SCHEMBL6294152 0.79 PDK2 (0.53) PDK2
SCHEMBL25863667 0.79 PDK2 (0.56) PDK2ESR1ESR2
SCHEMBL16177483 0.79 PDK2 (0.55) PDK2ESR1ESR2
SCHEMBL29493741 0.79 PDK2 (0.55) PDK2ESR1ESR2

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-9676906-B1 Polymer of poly(arylene ether)s, manufacturing method thereof and polymer light emitting diode with organic light emitting layer made from the same NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2017-06-13 US disclosed