SCHEMBL8943683

SCHEMBL8943683

CC(=O)N[C@H](CS)C(=O)OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 2/20 0.41
ACE P12821 1/20 0.39
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NPR3 P17342 1/20 0.33
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 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
SCHEMBL377145 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL377144 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24374500 0.93 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL26945874 0.86 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL26946176 0.85 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24669337 0.85 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL26946171 0.85 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24359845 0.84 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL22557757 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL22557755 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1

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-5519054-A APPLYING AN ACETYLCYSTINE DERIVATIVE ZAMBON GROUP S.P.A. (IT) 1996-05-21 US disclosed