SCHEMBL11048769

SCHEMBL11048769

O=C(NCCCC(O)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
FOLH1 Q04609 4/20 0.51
DPP8 Q6V1X1 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TGM2 P21980 1/20 0.47
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 3/20 0.46
DPP4 P27487 1/20 0.46
DPP9 Q86TI2 1/20 0.46
GAA P10253 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ACE P12821 1/20 0.43

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
SCHEMBL11294170 1.00 HTT (0.52) HTTFOLH1DPP8DPP7LMNA
SCHEMBL11310616 1.00 HTT (0.52) HTTFOLH1DPP8DPP7LMNA
SCHEMBL11291906 0.93 LMNA (0.50) HTTFOLH1DPP8DPP7LMNA
SCHEMBL3462691 0.93 LMNA (0.50) HTTFOLH1DPP8DPP7LMNA
SCHEMBL2138925 0.93 LMNA (0.50) HTTFOLH1DPP8DPP7LMNA
SCHEMBL8209334 0.90 HTT (0.53) HTTFOLH1DPP8DPP7LMNA
SCHEMBL8613001 0.87 FOLH1 (0.52) HTTFOLH1DPP8DPP7TGM2
SCHEMBL8897257 0.86 LMNA (0.46) HTTFOLH1LMNASMN1; SMN2GAA
SCHEMBL8897264 0.86 LMNA (0.46) HTTFOLH1LMNASMN1; SMN2GAA
SCHEMBL11294755 0.86 LMNA (0.46) HTTFOLH1LMNASMN1; SMN2GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136254-A PROCESS OF SELECTIVELY BLOCKING AMINO FUNCTIONS IN AMINOGLYCOSIDES USING TRANSITION METAL SALTS AND INTERMEDIATES USED THEREBY SCHERING CORPORATION (US) 1979-01-23 US claimed
US-4424343-A Preparation of 1-N- ω-amino-α-hydroxyalkanoyl!kanamycin polysilylates and products BRISTOL MYERS COMPANY (US) 1984-01-03 US disclosed
US-4337335-A Transition metal salt complexes of polyamino organic compounds SCHERING CORPORATION (US) 1982-06-29 US disclosed
US-4283528-A 1-N-aminohydroxyacyl derivatives of gentamicin B SCHERING CORPORATION (US) 1981-08-11 US disclosed
US-4231945-A BACTERICIDES SCHERING CORPORATION (US) 1980-11-04 US disclosed
US-4212859-A OXIMINATION OF AMINO PRECURSOR, ACID HYDROLYSIS, REDUCTION OF OXO GROUP SCHERING CORPORATION (US) 1980-07-15 US disclosed
US-4212860-A COUPLING THE PENTOFURANOSYL ONTO THE PROTECTED CYCLITOL SCHERING CORPORATION (US) 1980-07-15 US disclosed
EP-0000473-A1 Process for preparing aminoglycoside derivatives, novel derivatives obtained and pharmaceutical compositions containing such derivatives Technobiotic Ltd. (CH) 1979-02-07 EP disclosed
US-4136254-A PROCESS OF SELECTIVELY BLOCKING AMINO FUNCTIONS IN AMINOGLYCOSIDES USING TRANSITION METAL SALTS AND INTERMEDIATES USED THEREBY SCHERING CORPORATION (US) 1979-01-23 US disclosed
US-4053591-A 5-DEOXY-4,6-DI-O-(AMINOGLYCOSYL)-1,3-DIAMINOCYCLITOLS, METHODS FOR THEIR MANUFACTURE, METHOD FOR THEIR USE AS ANTIBACTERIAL AGENTS AND COMPOSITIONS USEFUL THEREFOR SCHERING CORPORATION (US) 1977-10-11 US disclosed