SCHEMBL8209334

SCHEMBL8209334

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
FOLH1 Q04609 4/20 0.52
DPP8 Q6V1X1 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
TGM2 P21980 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
GAA P10253 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MAPT P10636 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL11310616 0.90 HTT (0.52) HTTFOLH1DPP8DPP7LMNA
SCHEMBL11294170 0.90 HTT (0.52) HTTFOLH1DPP8DPP7LMNA
SCHEMBL11048769 0.90 HTT (0.52) HTTFOLH1DPP8DPP7LMNA
SCHEMBL8613001 0.88 FOLH1 (0.52) HTTFOLH1DPP8DPP7TGM2
SCHEMBL12727090 0.86 FOLH1 (0.54) HTTFOLH1DPP8DPP7TGM2
SCHEMBL2138925 0.85 LMNA (0.50) HTTFOLH1DPP8DPP7LMNA
SCHEMBL3462691 0.85 LMNA (0.50) HTTFOLH1DPP8DPP7LMNA
SCHEMBL11291906 0.85 LMNA (0.50) HTTFOLH1DPP8DPP7LMNA
SCHEMBL18337922 0.85 FOLH1 (0.56) FOLH1DPP8DPP7TGM2MMP2
SCHEMBL9976419 0.85 FOLH1 (0.56) FOLH1DPP8DPP7TGM2MMP2

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-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed