SCHEMBL25761663

SCHEMBL25761663

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
PTGS2 P35354 1/20 0.56
THPO P40225 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ACE P12821 1/20 0.55
FOLH1 Q04609 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.39
ENPEP Q07075 2/20 0.39
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37

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
SCHEMBL1058215 1.00 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1058214 1.00 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28854052 0.86 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6552340 0.84 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3714795 0.84 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23552453 0.84 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL313275 0.84 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7259700 0.84 ACE (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL107698 0.82 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31510814 0.82 ACE (0.42) 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
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed