SCHEMBL6685906

SCHEMBL6685906

CC/C(NC(=O)OC(C)(C)C)=C(/C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 3/20 0.36
CA7 P43166 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CTSK P43235 6/20 0.36
CTSS P25774 5/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 2/20 0.34
APLNR P35414 1/20 0.33
PTPN11 Q06124 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL9447850 1.00 KMT2A (0.37) KMT2AMEN1GAACA1CA7
SCHEMBL6683819 0.84 MAOA (0.36) KMT2AMEN1GAACA1CA7
SCHEMBL15525376 0.78 CYP1A2 (0.37) KMT2AMEN1GAACA1CA7
SCHEMBL8607585 0.78 ALDH1A1 (0.38) KMT2AGAA
SCHEMBL28528943 0.75 CA1 (0.41) KMT2AMEN1GAACA1CA7
SCHEMBL1011842 0.74 FFAR3 (0.35) TDP1
SCHEMBL4018042 0.72 MEN1 (0.39) KMT2AMEN1GAACA1CA7
SCHEMBL240769 0.72 CA1 (0.42) KMT2AMEN1GAACA1CA7
SCHEMBL29184 0.72 ALDH1A1 (0.46)
SCHEMBL6688608 0.72 ALDH1A1 (0.46)

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-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