SCHEMBL8745665

SCHEMBL8745665

O=C[C@@H](O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SLC1A3 P43003 1/20 0.57
SLC1A1 P43005 1/20 0.57
TGM2 P21980 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
FOLH1 Q04609 3/20 0.52
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47

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
SCHEMBL735711 0.85 HTT (0.56) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL735949 0.85 HTT (0.56) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL735712 0.85 HTT (0.56) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL7752769 0.85 LMNA (0.67) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL6465218 0.83 LMNA (0.57) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL334927 0.82 SLC1A3 (0.64) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL735799 0.82 SLC1A3 (0.64) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL334926 0.82 SLC1A3 (0.64) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL26630558 0.82 LMNA (0.63) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL966270 0.82 LMNA (0.63) HTTLMNASMN1; SMN2SLC1A3SLC1A1

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
EP-0546179-B1 4-O-(AMINOGLYCOSYL)- OR 4,6-DI-O-(AMINOGLYCOSYL)-2,5-DIDEOXY-5,5-DIFLUOROSTREPTAMINE DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU (JP) 1997-02-12 EP disclosed
US-5527781-A AMINOGLYCOSIDE ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-06-18 US disclosed
EP-0546179-A1 4-O-(AMINOGLYCOSYL)- OR 4,6-DI-O-(AMINOGLYCOSYL)-2,5-DIDEOXY-5,5-DIFLUOROSTREPTAMINE DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1993-06-16 EP disclosed
EP-0259014-A2 5-Deoxy-5-fluorokanamycin B derivatives and processes for the production thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-03-09 EP disclosed
US-4297485-A Production of a selectively protected N-acylated derivative of an aminoglycosidic antibiotic ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1981-10-27 US disclosed