SCHEMBL8863531

SCHEMBL8863531

C=Cc1cccc(CNC(CC)[Si](OCC)(OCC)OCC)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
FAAH O00519 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
SCHEMBL9860899 0.74 POLB (0.33)
SCHEMBL21248100 0.72 TP53 (0.42) TP53TDP1ALDH1A1FAAH
SCHEMBL8863536 0.71 CHRM2 (0.40) ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL16537905 0.71 TP53 (0.41) TP53TDP1ALDH1A1HDAC4MEF2D
SCHEMBL15292592 0.70 TP53 (0.40) TP53TDP1CYP2D6FAAH
SCHEMBL16537366 0.70 TP53 (0.40) TP53TDP1ALDH1A1FAAH
SCHEMBL21247626 0.70 TP53 (0.40) TP53TDP1ALDH1A1FAAH
SCHEMBL16537466 0.70 TP53 (0.40) TP53TDP1ALDH1A1FAAH
SCHEMBL3281226 0.70 TP53 (0.46) TP53TDP1ALDH1A1CYP2D6HDAC4
SCHEMBL29160575 0.69 TP53 (0.48) TP53TDP1ALDH1A1MEN1KMT2A

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
US-5698627-A AN AQUEOUS SOLUTION OF A COPOLYMER OF AN ACRYLAMIDE, A VINYL COMPOUND HAVING A CATIONIC GROUP AND ANOTHER UNSATURATED COMPOUND PREPARED IN THE PRESENCE OF A POLYHYDROXY COMPOUND; FREENESS; RETENTION; HIGH STRENGTH JAPAN PMC CORPORATION (JP) 1997-12-16 US disclosed
EP-0735186-A2 Additive for papermaking and process for papermaking JAPAN PMC CORPORATION (JP) 1996-10-02 EP disclosed