SCHEMBL8881979

SCHEMBL8881979

CCCCCCOC(=O)CNC(=O)c1ncc(C(=O)NCCCOCCCC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMPD1 P17405 5/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CNR2 P34972 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL8882701 1.00 MEN1 (0.50) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8880594 1.00 MEN1 (0.50) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8883714 1.00 MEN1 (0.50) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL966853 0.97 KMT2A (0.53) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL14735698 0.89 MAPT (0.46) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8882089 0.88 GAA (0.44) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8808599 0.88 SMPD1 (0.45) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8810909 0.88 SMPD1 (0.45) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8810764 0.88 SMPD1 (0.45) MEN1KMT2ASMPD1GAAMAPT
SCHEMBL8806156 0.88 SMPD1 (0.45) MEN1KMT2ASMPD1GAAMAPT

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
US-5658933-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed