SCHEMBL28107222

SCHEMBL28107222

CCOC(=O)C(CO)CCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.45
BLM P54132 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
MMP8 P22894 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19861018 0.86 CPB2 (0.46) CPB2BLMCA1CA2KMT2A
SCHEMBL14163013 0.85 CPB2 (0.45) CPB2BLMCA1CA2KMT2A
SCHEMBL5000143 0.84 CPB2 (0.47) CPB2CA1CA2KMT2AMEN1
SCHEMBL3176263 0.84 CA2 (0.52) CPB2CA1CA2KMT2AMEN1
SCHEMBL3845206 0.82 CPB2 (0.50) CPB2CA1CA2KMT2AMEN1
SCHEMBL27513220 0.81 CPB2 (0.42) CPB2BLMCA1CA2KMT2A
SCHEMBL27881617 0.81 CPB2 (0.42) CPB2BLMCA1CA2KMT2A
SCHEMBL3081469 0.81 CPB2 (0.42) CPB2BLMCA1CA2KMT2A
SCHEMBL5201455 0.81 CPB2 (0.62) CPB2CA1CA2KMT2AMEN1
SCHEMBL319980 0.81 CPB2 (0.53) CPB2CA1CA2KMT2AMEN1

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
CN-106103463-A Bridging type nucleoside and nucleotide 国立大学法人大阪大学 2016-11-09 CN disclosed