SCHEMBL8811077

SCHEMBL8811077

CCC=CCCOC(=O)CNC(=O)Oc1ncc(C(=O)NCCCOCCCC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.36
SMPD1 P17405 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.35
PPARG P37231 2/20 0.35
MGLL Q99685 1/20 0.35
BCHE P06276 1/20 0.35
LIPE Q05469 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8810151 0.92 GAA (0.46) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8808599 0.90 SMPD1 (0.45) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8810909 0.90 SMPD1 (0.45) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8810764 0.90 SMPD1 (0.45) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8882089 0.90 GAA (0.44) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8806156 0.90 SMPD1 (0.45) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8807029 0.87 GAA (0.42) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8787448 0.85 GAA (0.47) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8784539 0.84 GAA (0.45) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8807374 0.83 TRPV1 (0.38) GAAMAPTMEN1KMT2ASMN1; SMN2

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-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 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