SCHEMBL23600702

SCHEMBL23600702

CCC1(OC(=O)COc2c(C)cc([SiH](c3ccccc3)c3ccccc3)cc2C)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
FAAH O00519 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL25629364 0.83 THRB (0.38) THRBKMT2AL3MBTL1MMP1MMP9
SCHEMBL25629348 0.82 THRB (0.39) THRBKMT2AL3MBTL1MMP1MMP9
SCHEMBL98384 0.82 THRB (0.35) THRBKMT2AL3MBTL1MMP1MMP9
Hydrochloric Acid SCHEMBL31108771 0.81 THRB (0.34) THRBKMT2AL3MBTL1MMP1MMP9
SCHEMBL98387 0.81 THRB (0.36) THRBKMT2AL3MBTL1MMP1MMP9
Bromide SCHEMBL31564953 0.81 THRB (0.34) THRBKMT2AL3MBTL1MMP1MMP9
SCHEMBL15034667 0.81 THRB (0.51) THRBKMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL31447352 0.79 THRB (0.33) THRBKMT2AL3MBTL1MMP1MMP9
SCHEMBL19302675 0.78 THRB (0.33) THRBL3MBTL1MMP1MMP9MMP8
SCHEMBL30029852 0.78 MMP1 (0.35) THRBKMT2AL3MBTL1MMP1MMP9

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
WO-2021131845-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERN JSR株式会社 2021-07-01 WO disclosed