SCHEMBL7197797

SCHEMBL7197797

CCOC(=O)[C@H](C)NCNC=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
METAP2 P50579 8/20 0.35
METAP1 P53582 6/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
CAD P27708 1/20 0.34
PKM P14618 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14615465 0.76 ADH1B (0.39) ADH1BADH1CADH1A
SCHEMBL5527208 0.76 MGAM (0.41) ALOX15MGAMGAASIMGAM2
SCHEMBL7060302 0.76 MGAM (0.41) ALOX15MGAMGAASIMGAM2
SCHEMBL3598471 0.76 MGAM (0.44) ALOX15MGAMGAASIMGAM2
SCHEMBL8501563 0.73 ADH1B (0.46) ALOX15MGAMGAASIMGAM2
SCHEMBL6050454 0.72 MGAM (0.41) ALOX15MGAMGAASIMGAM2
SCHEMBL11180281 0.72 CYP2D6 (0.43) ALOX15MGAMGAASIMGAM2
SCHEMBL11183460 0.72 SCN1A (0.44) ALOX15MGAMGAASIMGAM2
SCHEMBL2504506 0.72 SMN1; SMN2 (0.41) ALOX15MGAMGAASIMGAM2
SCHEMBL19174385 0.72 MGAM (0.41) ALOX15MGAMGAASIMGAM2

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-1310507-A2 Novel peptide nucleic acids NIELSEN, Peter Eigil (DK) 2003-05-14 EP disclosed
US-5773571-A BOND TO RNA AND DNA STRANDS NIELSEN PETER E (DK) 1998-06-30 US disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
EP-0699208-A1 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN, Peter Eigil (DK) 1996-03-06 EP disclosed
WO-1994025477-A2 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN PETER E (DK) 1994-11-10 WO disclosed