Edetol

Edetol

SCHEMBL10909331

CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.O=C1CN(Sc2ccccc2)C(=O)N1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
Benzene SCHEMBL27623239 0.80 MAPT (0.46) KMT2AALDH1A1MAPTHSD17B10NPC1
SCHEMBL62940 0.80 MAPT (0.46) KMT2AALDH1A1MAPTHSD17B10NPC1
Alanine SCHEMBL6904183 0.78 ALDH1A1 (0.36) KMT2AALDH1A1MAPTHSD17B10HTT
SCHEMBL27404604 0.71 PTGS2 (0.39) RETKDRALDH1A1MAPTHSD17B10
SCHEMBL9701179 0.66 TDP2 (0.35) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL9864475 0.65 MAPT (0.38) KMT2AALDH1A1MAPTHSD17B10NPC1
SCHEMBL1421444 0.65 CRBN (0.41) KMT2AALDH1A1MAPTRAB9A
SCHEMBL9640804 0.63 TSHR (0.54) KMT2AALDH1A1MAPTHTT
SCHEMBL11583227 0.62 TOP2A (0.42) ALDH1A1MAPT
Edetol SCHEMBL28132161 0.62 CES2 (0.50) KDM4E

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-4623714-A Novel polypeptides with an α-amylase-inhibiting action, a process for their preparation, their use and pharmaceutical products HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-18 US disclosed