SCHEMBL28096046

SCHEMBL28096046

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SLC1A1 P43005 2/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34

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
SCHEMBL2241803 1.00 LMNA (0.46) LMNASLC1A1TSHRMAPTGABRP
SCHEMBL4537585 1.00 LMNA (0.46) LMNASLC1A1TSHRMAPTGABRP
SCHEMBL22639581 0.89 SLC1A1 (0.49) LMNASLC1A1TSHRMAPTGABRP
SCHEMBL16523558 0.89 LMNA (0.43) LMNASLC1A1TSHRMAPTGABRP
SCHEMBL16523559 0.87 LMNA (0.46) LMNASLC1A1TSHRGABRPGABRD
SCHEMBL31229067 0.87 CYP1A2 (0.44) LMNASLC1A1GABRPGABRDGABRA1
SCHEMBL14175423 0.87 CYP1A2 (0.44) LMNASLC1A1GABRPGABRDGABRA1
SCHEMBL2201201 0.84 SLC1A1 (0.54) LMNASLC1A1GRM8GRM6GRIN2D
SCHEMBL23515280 0.84 SLC1A1 (0.36) LMNASLC1A1GABRPGABRDGABRA1
SCHEMBL5885314 0.84 SLC1A1 (0.36) LMNASLC1A1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024224093-A1 DESMURAMYLPEPTIDE DIEESTERS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
CN-108794372-B Novel compound and pharmaceutical composition for treating tuberculosis comprising same 顺天乡大学校产学协力团 2021-09-14 CN disclosed
CN-105924380-B Luxuriant and rich with fragrance class compound or derivatives thereof and treatment medicine for tuberculosis compositions containing the phenanthrene class compound or derivatives thereof 顺天乡大学校产学协力团 2019-03-05 CN disclosed
CN-108794372-A New compound and tuberculotherapy medical composition comprising it 顺天乡大学校产学协力团 2018-11-13 CN disclosed
CN-105924380-A Phenanthrene Compound, Ramification Thereof And Drug Composition Containing Phenanthrene Compound Or Ramification And Used For Treating Tuberculosis 顺天乡大学校产学协力团 2016-09-07 CN disclosed