SCHEMBL28909388

SCHEMBL28909388

CC(C)OC(=O)CC=O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.40
HCAR2 Q8TDS4 1/20 0.37
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MIF P14174 1/20 0.30
AGTR1 P30556 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
SCHEMBL4904518 0.98
SCHEMBL27790504 0.81 TSHR (0.38) LMNATSHRHCAR2CYP2D6SMN1; SMN2
SCHEMBL29433283 0.80 LMNA (0.45) LMNATSHRHCAR2CYP2D6MAPT
SCHEMBL28236712 0.79 CHRNB2 (0.32) TSHR
SCHEMBL9729698 0.78
SCHEMBL207281 0.76
SCHEMBL16612904 0.76 LMNA (0.42) LMNATSHRHCAR2CYP2D6MAPT
SCHEMBL6231322 0.76
SCHEMBL9177236 0.74 LMNA (0.45) LMNATSHRHCAR2CYP2D6MAPT
SCHEMBL8750063 0.74 LMNA (0.50) LMNATSHRHCAR2CYP2D6MAPT

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
CN-112409381-B Piperacillin sodium and tazobactam sodium co-amorphous substance and preparation method thereof 山东安信制药有限公司 2022-03-01 CN disclosed
CN-112409381-A Piperacillin sodium and tazobactam sodium co-amorphous substance and preparation method thereof 山东安信制药有限公司 2021-02-26 CN disclosed