SCHEMBL8767398

SCHEMBL8767398

COC(=O)CN(CCn1cccn1)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
OPRD1 P41143 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8767402 0.94 LMNA (0.38) LMNATHRBALDH1A1KMT2AGAA
SCHEMBL7651717 0.81 TDP1 (0.43) LMNATHRBALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL8767266 0.80 TDP1 (0.42) LMNATHRBALDH1A1KMT2ANPC1
SCHEMBL8768611 0.80 TDP1 (0.42) LMNATHRBALDH1A1KMT2ANPC1
SCHEMBL14578736 0.79 THRB (0.51) LMNATHRBALDH1A1KMT2AOPRD1
SCHEMBL7647805 0.78 LMNA (0.41) LMNATHRBALDH1A1KMT2AKDM4E
SCHEMBL8768617 0.78 SMN1; SMN2 (0.41) LMNATHRBALDH1A1KMT2ANPC1
SCHEMBL348081 0.76 ALDH1A1 (0.43) LMNAALDH1A1KMT2AGAANPC1
SCHEMBL9206601 0.75 GLS (0.41) LMNATHRBKMT2ANPC1SMN1; SMN2
SCHEMBL16320685 0.75 ALDH1A1 (0.49) LMNAALDH1A1KMT2AGAANPC1

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-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP claimed
EP-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP disclosed