SCHEMBL20122405

SCHEMBL20122405

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.38
MME P08473 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 1/20 0.30
CTSG P08311 1/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL24374503 1.00 ACE (0.38) ACEMMEACE2KDM4EMAPT
SCHEMBL26945933 0.88 ACE (0.35) ACEMMEACE2KDM4EMAPT
SCHEMBL24359833 0.86 ACE (0.36) ACEMMEACE2KDM4EMAPT
SCHEMBL21691946 0.84 ACE (0.41) ACEMMEACE2KDM4EMAPT
SCHEMBL928879 0.84 ACE (0.41) ACEMMEACE2KDM4EMAPT
SCHEMBL377144 0.79 KDM4E (0.57) ACEKDM4EMAPTTHRBALOX15
SCHEMBL8943683 0.79 KDM4E (0.57) ACEKDM4EMAPTTHRBALOX15
SCHEMBL377145 0.79 KDM4E (0.57) ACEKDM4EMAPTTHRBALOX15
SCHEMBL16001087 0.77 ACE (0.38) ACEKDM4EMAPTTHRBALOX15
Bucillamine SCHEMBL522713 0.77 MAPT (0.59) ACEMMEACE2KDM4EMAPT

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-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 US disclosed