SCHEMBL24378316

SCHEMBL24378316

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE P12821 3/20 0.43
MME P08473 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
FOLH1 Q04609 1/20 0.34

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
SCHEMBL929463 0.86 ACE (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929464 0.86 ACE (0.42) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL522713 0.84 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL5060887 0.84 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL930021 0.84 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL121965 0.84 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL21691946 0.81 ACE (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL928879 0.81 ACE (0.41) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL4632094 0.80 MAPT (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL930674 0.79 ACE (0.40) 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-2022084738-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed