SCHEMBL28364697

SCHEMBL28364697

CC(C)(C)C1CCC(CC(CC(=O)O)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.41
CPB2 Q96IY4 4/20 0.39
CPN1 P15169 2/20 0.39
FOLH1 Q04609 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
ANPEP P15144 2/20 0.36
ENPEP Q07075 2/20 0.36
LTA4H P09960 1/20 0.34
CDC25B P30305 1/20 0.34
EPHX1 P07099 1/20 0.33
GLA P06280 1/20 0.33
HSD11B1 P28845 1/20 0.33
CPA1 P15085 2/20 0.32
CPB1 P15086 1/20 0.32
CPA3 P15088 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 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
SCHEMBL7279987 0.86 CPB2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL7279991 0.86 CPB2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL8107598 0.78 MMP2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL4603751 0.78 MMP2 (0.51) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL4603755 0.78 MMP2 (0.51) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL8757009 0.78 MMP2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL5073981 0.77 CPB2 (0.42) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL5073973 0.77 CPB2 (0.42) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL9208253 0.77 MMP2 (0.50) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL2856572 0.77 MMP2 (0.50) CPB2CPN1FOLH1MMP2MMP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110734368-B Preparation method of buparvaquone 新发药业有限公司 2022-08-12 CN disclosed
CN-110734368-B Preparation method of buparvaquone 新发药业有限公司 2022-08-12 CN disclosed
CN-110734368-A Preparation method of buparvaquone 新发药业有限公司 2020-01-31 CN disclosed
CN-110734368-A Preparation method of buparvaquone 新发药业有限公司 2020-01-31 CN disclosed