SCHEMBL6840808

SCHEMBL6840808

O=C(NCCN(CCO)CCO)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 1/20 0.58
TGM2 P21980 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
MAPT P10636 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KAT2B Q92831 1/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL15739517 1.00 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL21338346 0.93 LMNA (0.55) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL11990340 0.87 SMN1; SMN2 (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL698335 0.87 LMNA (0.60) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL19416263 0.87 LMNA (0.60) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL12895393 0.86 LMNA (0.58) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13531477 0.86 SMN1; SMN2 (0.71) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL16389741 0.85 TGM2 (0.54) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL23871966 0.85 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL7159271 0.85 HTT (0.62) LMNASMN1; SMN2HTTTGM2L3MBTL1

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
US-6759509-B1 CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER BRISTOL-MYERS SQUIBB COMPANY 2004-07-06 US disclosed