SCHEMBL7328398

SCHEMBL7328398

O=C(OCC1CCCO1)ON1C(=O)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 2/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1469483 0.79 LMNA (0.68) LMNAPOLBALDH1A1NPSR1KMT2A
SCHEMBL13195396 0.77 LMNA (0.37) LMNAMGLL
SCHEMBL1796877 0.77 LMNA (0.40) LMNAMGLLKMT2AMEN1
SCHEMBL1799985 0.77 MGLL (0.34) LMNAMGLL
SCHEMBL2411964 0.76 LMNA (0.42) LMNAALDH1A1MGLLKMT2AMEN1
SCHEMBL4680523 0.75 L3MBTL1 (0.33) MAPK1
SCHEMBL6887194 0.75 MGLL (0.34) POLBALDH1A1MGLLKMT2AMEN1
SCHEMBL1470146 0.74 LMNA (0.61) LMNAPOLBALDH1A1MGLL
SCHEMBL18748771 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1469108 0.73 LMNA (0.60) LMNAPOLBALDH1A1NPSR1HTT

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
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 EP disclosed