SCHEMBL30438662

SCHEMBL30438662

CC[C@H](C(=O)OC)[C@H](Br)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CA14 Q9ULX7 1/20 0.31
MIF P14174 1/20 0.31
CA12 O43570 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
TRPA1 O75762 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
SCHEMBL9205071 1.00 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL9205360 0.87 CYP2C19 (0.40) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL9285351 0.87 CYP2C19 (0.40) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL16626822 0.83 CA1 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL14601911 0.83 CA1 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL9212723 0.83 ZDHHC7 (0.48) ZDHHC7CA1CA2SMN1; SMN2
SCHEMBL9203444 0.79 ZDHHC7 (0.55) ZDHHC7CA1CA2ALDH1A1
SCHEMBL21177034 0.79 ZDHHC7 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL28871943 0.77 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL28871902 0.77 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1

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-116199607-B Preparation method of pilocarpine and intermediate compound thereof 浙江奥翔药业股份有限公司 2025-02-14 CN disclosed
CN-116199607-A Preparation method of pilocarpine and intermediate compound thereof 浙江奥翔药业股份有限公司 2023-06-02 CN disclosed