SCHEMBL8719377

SCHEMBL8719377

CC1CN(C(=O)O)CCN(C(=O)O)CCN(CC(O)COCCN2CC(=O)OC(=O)C2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 6/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5557277 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL8560245 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL5551517 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL5555201 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL8481805 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL5551332 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL8719375 0.77 KDM4E (0.41) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL5555297 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL5555359 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL8559141 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2ALOX15KMT2A

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-0512661-B1 Macrocyclic polymer-complexing, their complexes, method for their production and pharmaceutical agents containing them SCHERING AG (DE) 1998-01-14 EP disclosed
EP-0512661-A1 Macrocyclic polymer-complexing, their complexes, method for their production and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed