SCHEMBL8788925

SCHEMBL8788925

CCCCOCCCNC(=O)c1cnc(OC(=O)OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.46
SMPD1 P17405 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CNR2 P34972 2/20 0.43
SLC6A5 Q9Y345 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8786227 0.91 GAA (0.52) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8787448 0.87 GAA (0.47) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8810151 0.85 GAA (0.46) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8884073 0.83 GAA (0.55) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL4407803 0.83 GAA (0.55) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8786359 0.83 SMPD1 (0.47) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8785758 0.83 SMPD1 (0.47) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8808599 0.83 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8810764 0.83 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8810909 0.83 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1

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-0650961-B1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650961-A1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed
EP-0650960-A1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed