SCHEMBL30366351

SCHEMBL30366351

CC(C)c1cc(C2(c3cc(C(C)C)c(OCCO)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc(C(C)C)c1OCCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GLRA1 P23415 1/20 0.36
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 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
SCHEMBL383832 1.00 PDK2 (0.40) PDK2ESR1ESR2GLRA1LMNA
SCHEMBL30366005 0.88 PDK2 (0.38) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL383004 0.88 PDK2 (0.38) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL382295 0.84 ESR1 (0.43) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL29445690 0.84 ESR1 (0.43) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL29441929 0.82 ESR1 (0.51) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL383542 0.82 ESR1 (0.51) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL30366138 0.82 PDK2 (0.39) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL383342 0.82 PDK2 (0.39) PDK2ESR1ESR2LMNAKDM4E
SCHEMBL382809 0.80 PDK2 (0.44) PDK2ESR1ESR2LMNAKDM4E

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
CN-113423757-B Polycarbonate resin composition or copolymer, and optical film 帝人株式会社 2023-04-04 CN disclosed