SCHEMBL8197973

SCHEMBL8197973

O=C(NCCCOP(=O)(O)CP(=O)(O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
TGM2 P21980 1/20 0.52
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL8190950 0.96 HTT (0.56) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL8189834 0.92 LMNA (0.63) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL24486768 0.87 HTT (0.63) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL9416993 0.85 CETP (0.59) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL3397940 0.82 HTT (0.60) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL3362572 0.81 HTT (0.67) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL24486765 0.80 HTT (0.65) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL22166825 0.80 HTT (0.68) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL18254066 0.79 HTT (0.81) HTTLMNASMN1; SMN2L3MBTL1TGM2
SCHEMBL8851936 0.79 CAPN1 (0.52) HSD17B10

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-0934325-A4 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET LTD (US) 2000-08-16 EP disclosed
EP-0934325-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES Pharmasset, Ltd. (US) 1999-08-11 EP disclosed
WO-1998015563-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET, LTD. (US) 1998-04-16 WO disclosed