SCHEMBL6687374

SCHEMBL6687374

CC(O)CN(OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2D6 P10635 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA14 Q9ULX7 2/20 0.30
CA12 O43570 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
SCHEMBL7997178 0.82 MEN1 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL21877076 0.79 CA14 (0.39) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL5402224 0.79 MAPK1 (0.37) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL20215933 0.77 MAPK1 (0.35) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL23134818 0.77 MAPK1 (0.35) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL18290052 0.76 MAPK1 (0.34) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL18329838 0.76 MAPK1 (0.34) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL19246067 0.74 CA14 (0.36) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL5404209 0.74 CYP2D6 (0.33) HDAC6MAPK1HDAC1HDAC2CYP2D6
SCHEMBL28546389 0.73 HDAC6 (0.35) HDAC6HDAC1HDAC2L3MBTL1CA14

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
WO-2004074335-A1 NOVEL CATIONIC POLYMERS AND COPOLYMERS, USE THEREOF FOR THE VECTORISATION OF BIOMOLECULES AND SYNTHETIC INTERMEDIATES FOR THE SAME HALISOL (FR) 2004-09-02 WO disclosed
WO-2004074336-A1 NOVEL CATIONIC COPOLYMERS, USE THEREOF FOR THE VECTORISATION OF BIOMOLECULES AND SYNTHETIC INTERMEDIATES FOR THE SAME HALISOL (FR) 2004-09-02 WO disclosed