SCHEMBL27397337

SCHEMBL27397337

CC(C)(N)CC(C)(C)C(=O)NC(CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 5/20 0.47
FOLH1 Q04609 1/20 0.41
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
MME P08473 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32

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
SCHEMBL929540 0.84 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7718893 0.84 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929062 0.84 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31234818 0.82 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29476459 0.82 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6661780 0.80 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6661779 0.80 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9324856 0.80 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL121965 0.78 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL930021 0.78 MAPT (0.59) 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
WO-2024077385-A9 NITRILOTRIACETIC ACID LINKERS, SOLID PHASE SYNTHESIS OF NITRILOTRIACETIC ACID LINKERS AND APPLICATIONS THEREOF Nicoya Lifesciences Inc. (CA) 2024-06-20 WO disclosed