SCHEMBL8787448

SCHEMBL8787448

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
SMPD1 P17405 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 3/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 2/20 0.40
MGLL Q99685 1/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
LIPE Q05469 1/20 0.40
MEN1 O00255 1/20 0.40
BRD4 O60885 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL8786359 0.96 SMPD1 (0.47) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8785758 0.96 SMPD1 (0.47) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8810151 0.90 GAA (0.46) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8786227 0.89 GAA (0.52) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8806156 0.88 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8810764 0.88 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8810909 0.88 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8808599 0.88 SMPD1 (0.45) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8788925 0.87 GAA (0.52) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8787902 0.87 TP53 (0.48) SMN1; SMN2HPGDPOLBMAPK1KMT2A

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 2 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-0650961-A1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed