SCHEMBL30344784

SCHEMBL30344784

CCOC(=O)[C@H](COC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MMP8 P22894 1/20 0.34
TRPA1 O75762 1/20 0.33
POLB P06746 1/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL11735052 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL10918583 0.89 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10TDP1MEN1
Isobutane SCHEMBL27924537 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL28454940 0.84 TDP1 (0.43) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL6421600 0.83 TDP1 (0.40) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL19011804 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1MEN1
Cyclohexane SCHEMBL27906530 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL19050231 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL10914196 0.82 SMN1; SMN2 (0.37) ALDH1A1KMT2ATSHRMGAMGAA
SCHEMBL10919488 0.81 ALDH1A1 (0.35) ALDH1A1TSHRMGAMGAASI

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-110950770-B Synthesis method of lacosamide 珠海润都制药股份有限公司 2023-04-07 CN disclosed