SCHEMBL22604686

SCHEMBL22604686

C=CCN([SiH3])C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CA14 Q9ULX7 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL2622073 0.80 HDAC6 (0.38) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL956549 0.80 ALDH1A1 (0.42) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL2754735 0.78 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL17162509 0.78 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL25036963 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL1810981 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL6714665 0.76 HDAC6 (0.35) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL3178526 0.76 ALDH1A1 (0.38) HDAC6HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL18938327 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL22142149 0.74 HDAC6 (0.34) HDAC6HDAC1HDAC2L3MBTL1

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
US-20200339816-A1 WATER-SOLUBLE POLYNORBORNENE DYES HAVING PENDANT CHROMOPHORES BECTON DICKINSON CO (US) 2020-10-29 US disclosed