SCHEMBL21974941

SCHEMBL21974941

CCCCCCCCC1(C)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 17/20 0.41
▸ ASAH1 Q13510 1/20 0.36
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL21974639 0.87 CNR2 (0.40) PDK2CNR2
SCHEMBL15159198 0.87 PDK2 (0.42) PDK2CNR2
SCHEMBL10039402 0.81 PDK2 (0.38) PDK2CNR2
SCHEMBL21974605 0.81 CNR1 (0.39) PDK2CNR2
SCHEMBL21974968 0.80 PDK2 (0.39) PDK2
SCHEMBL6060767 0.79 PDK2 (0.40) PDK2ASAH1
SCHEMBL6060780 0.79 PDK2 (0.40) PDK2ASAH1
SCHEMBL134285 0.79 PDK2 (0.58) PDK2
SCHEMBL6060800 0.79 PDK2 (0.40) PDK2ASAH1
SCHEMBL29114 0.79 PDK2 (0.58) 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
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 — — EP disclosed
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