SCHEMBL28293430

SCHEMBL28293430

C=CC(=O)Oc1c(OCCC)c(C)c(OCCC)c(OCCC)c1C1(c2c(OCCC)c(OCCC)c(C)c(OCCC)c2OC(=O)C=C)c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.36
THRA P10827 1/20 0.36
PDK2 Q15119 4/20 0.34
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TYMS P04818 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8428843 0.82 THRB (0.36) THRBTHRAPDK2ESR1ESR2
SCHEMBL4147253 0.79 PDK2 (0.34) PDK2ESR1ESR2
SCHEMBL6330263 0.79 PDK2 (0.34) PDK2
SCHEMBL29720823 0.79 THRB (0.41) THRBTHRAPDK2MAPTTYMS
SCHEMBL556406 0.79 THRB (0.41) THRBTHRAPDK2MAPTTYMS
SCHEMBL4131236 0.76 PDK2 (0.37) PDK2ESR1ESR2
SCHEMBL6330760 0.76 PDK2 (0.36) PDK2
SCHEMBL4130753 0.74 PDK2 (0.34) PDK2
SCHEMBL4131209 0.73 PDK2 (0.33) PDK2
SCHEMBL6330773 0.72 PDK2 (0.33) 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
CN-109790258-A Solidification compound and solidfied material AGC株式会社 2019-05-21 CN disclosed