SCHEMBL20806435

SCHEMBL20806435

CC(C)C1(C(C)C)c2ccc(Cl)cc2-c2cc3c(cc21)-c1ccccc1C3(C)CCC(C)C1(C(C)C)c2cc3c(cc2-c2cccc(Cl)c21)C(C(C)C)(C(C)C)c1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.39
▸ PGR P06401 3/20 0.33

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
SCHEMBL22402058 0.80 PDK2 (0.33) PDK2
SCHEMBL20806334 0.78 PDK2 (0.43) PDK2PGR
SCHEMBL20806319 0.78 PDK2 (0.51) PDK2PGR
SCHEMBL1920765 0.70 PDK2 (0.50) PDK2PGR
SCHEMBL22920952 0.64 PDK2 (0.53) PDK2PGR
SCHEMBL20806340 0.63 PDK2 (0.56) PDK2PGR
SCHEMBL1921728 0.63 PDK2 (0.45) PDK2PGR
SCHEMBL19849937 0.63 PDK2 (0.59) PDK2PGR
SCHEMBL24684828 0.63 PDK2 (0.40) PDK2PGR
SCHEMBL1921508 0.63 PDK2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3679024-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-02 — — EP disclosed
WO-2019048443-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-03-14 — — WO disclosed
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