SCHEMBL28073624

SCHEMBL28073624

COC(=O)C(C)(N)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KCNN4 O15554 1/20 0.32
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27659022 0.79 GAA (0.31) GAA
SCHEMBL10772762 0.79 DGAT1 (0.41) DGAT1ALDH1A1KCNN4TP53RAB9A
SCHEMBL4664424 0.79 DGAT1 (0.41) DGAT1ALDH1A1KCNN4TP53RAB9A
SCHEMBL29115444 0.79 DGAT1 (0.41) DGAT1ALDH1A1KCNN4TP53RAB9A
Hydrochloric Acid SCHEMBL4664452 0.77 DGAT1 (0.39) DGAT1ALDH1A1KCNN4TP53RAB9A
SCHEMBL1866882 0.76
SCHEMBL27635112 0.75 DGAT1 (0.60) DGAT1KCNN4
SCHEMBL27635111 0.75 DGAT1 (0.60) DGAT1KCNN4
SCHEMBL5491194 0.75
SCHEMBL240584 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN disclosed
CN-115297861-A Compound and use thereof 福宏治疗公司 2022-11-04 CN disclosed
CN-105693541-A Synthetic method of methyldopa 湖南湘易康制药有限公司 2016-06-22 CN disclosed