SCHEMBL6955855

SCHEMBL6955855

C/C(N)=C/C(=O)OCC1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MGLL Q99685 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8862391 0.95 MGLL (0.48) LMNAPOLBALDH1A1MGLL
SCHEMBL9848728 0.95 MGLL (0.48) LMNAPOLBALDH1A1MGLL
SCHEMBL9568018 0.81 LMNA (0.58) LMNAPOLBALDH1A1MGLLNPSR1
SCHEMBL8416322 0.80 LMNA (0.62) LMNAPOLBALDH1A1MGLLNPSR1
SCHEMBL8419580 0.80 LMNA (0.62) LMNAPOLBALDH1A1MGLLNPSR1
SCHEMBL8416318 0.80 LMNA (0.62) LMNAPOLBALDH1A1MGLLNPSR1
SCHEMBL11569645 0.80 KMT2A (0.50) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL11569649 0.80 KMT2A (0.50) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL154822 0.79 LMNA (0.44) LMNAPOLBALDH1A1MGLLNPSR1
SCHEMBL10290385 0.79 LMNA (0.64) LMNAPOLBALDH1A1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed