SCHEMBL21548085

SCHEMBL21548085

CCCC(C)(C)OC(=O)C(CO)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.45
SYK P43405 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSB P07858 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
ABCB1 P08183 1/20 0.42
TGM2 P21980 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
FOLH1 Q04609 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL851946 0.88 LMNA (0.52) LMNASMN1; SMN2HTTSYKL3MBTL1
SCHEMBL851947 0.88 LMNA (0.52) LMNASMN1; SMN2HTTSYKL3MBTL1
SCHEMBL3951860 0.81 LMNA (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28392402 0.78 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28392401 0.78 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28221031 0.77 LMNA (0.53) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL27696907 0.76 CTSS (0.57) SYKMAPTCTSLCTSSCTSB
SCHEMBL16409736 0.75 SMN1; SMN2 (0.57) LMNASMN1; SMN2HTTSYKL3MBTL1
SCHEMBL5408118 0.75 LMNA (0.60) LMNASMN1; SMN2HTTSYKL3MBTL1
SCHEMBL22987362 0.75 LMNA (0.53) LMNASMN1; SMN2HTTSYKL3MBTL1

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
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed