SCHEMBL28650274

SCHEMBL28650274

CC(C)C(NCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SYK P43405 1/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
ABCB1 P08183 1/20 0.46
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
IDO1 P14902 1/20 0.45
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
TGM2 P21980 1/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL12347932 1.00 LMNA (0.51) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL22987362 0.88 LMNA (0.53) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL2059341 0.88 LMNA (0.56) LMNASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL2438788 0.87 LMNA (0.52) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL22122416 0.86 LMNA (0.57) LMNASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL22122414 0.86 LMNA (0.57) LMNASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL851947 0.84 LMNA (0.52) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL851946 0.84 LMNA (0.52) LMNASMN1; SMN2SYKMAPTHTT
SCHEMBL20046452 0.84 CA2 (0.58) SYKMAPTCA2CA5ACTSL
SCHEMBL20075956 0.84 CA2 (0.58) SYKMAPTCA2CA5ACTSL

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-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN disclosed