SCHEMBL28221007

SCHEMBL28221007

COC(=O)C(C)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
TGM2 P21980 1/20 0.50
CAPN1 P07384 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CTSK P43235 1/20 0.48

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
SCHEMBL28221005 1.00 LMNA (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28221516 1.00 LMNA (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28393636 0.90 LMNA (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28393637 0.90 LMNA (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28888855 0.90 LMNA (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28220966 0.89 LMNA (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28220965 0.89 LMNA (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28405280 0.88 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL19750475 0.87 LMNA (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL22987362 0.87 LMNA (0.53) LMNASMN1; SMN2HTTL3MBTL1MAPT

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-108129404-A The synthetic method of chiral piperazine ketone derivatives 凯瑞斯德生化(苏州)有限公司 2018-06-08 CN disclosed