SCHEMBL28008668

SCHEMBL28008668

CCOC(=O)CC=C(CC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.43
TBXAS1 P24557 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6856043 0.89 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6647555 0.89 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL11309145 0.88 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL11309141 0.88 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10894611 0.85 TBXAS1 (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL28719331 0.82 MEN1 (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL28715373 0.82 MEN1 (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6524082 0.77 MAPT (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6524085 0.77 MAPT (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL30040031 0.77 MAPT (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed