SCHEMBL8745681

SCHEMBL8745681

O=C1C[C@H](OC(=O)C(O)CCNC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
KAT2B Q92831 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
FOLH1 Q04609 2/20 0.40
TGM2 P21980 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL794256 0.85 IDO1 (0.49) IDO1TDO2LMNASMN1; SMN2SLC1A3
SCHEMBL28640796 0.85 IDO1 (0.49) IDO1TDO2LMNASMN1; SMN2SLC1A3
SCHEMBL7191584 0.81 ALDH1A1 (0.47) IDO1TDO2LMNASMN1; SMN2HTT
SCHEMBL6449041 0.80 CYP1A2 (0.46) IDO1TDO2LMNASMN1; SMN2MEN1
SCHEMBL9797934 0.79 CTSL (0.57) IDO1TDO2
SCHEMBL9812665 0.78 CTSK (0.50) IDO1TDO2SMN1; SMN2
SCHEMBL148443 0.77 GPBAR1 (0.46) SMN1; SMN2GAAKMT2AL3MBTL1
SCHEMBL10628905 0.76 CTSK (0.57)
SCHEMBL16533444 0.76 LMNA (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL9810239 0.76 CYP3A4 (0.55) IDO1LMNAMEN1KMT2A

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 3 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-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