SCHEMBL7442589

SCHEMBL7442589

CC(C)C(CS)N1C(=O)CN(CC(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
ACE P12821 5/20 0.38
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL7430867 0.85 ENPP2 (0.42) ENPP2ACEHTTSMN1; SMN2LMNA
SCHEMBL7438154 0.83 ENPP2 (0.39) ENPP2ACEHTTSMN1; SMN2LMNA
SCHEMBL7442598 0.77 ENPP2 (0.40) ENPP2ACEHTTSMN1; SMN2LMNA
SCHEMBL7430876 0.76 ENPP2 (0.39) ENPP2ACEHTTSMN1; SMN2LMNA
SCHEMBL7438165 0.75 ENPP2 (0.40) ENPP2ACEHTTSMN1; SMN2LMNA
SCHEMBL7428787 0.71 KMT2A (0.45) ENPP2ACELMNAKMT2APOLB
SCHEMBL7428609 0.69
SCHEMBL6792682 0.67 TSHR (0.45) ACEHTTSMN1; SMN2LMNAKMT2A
SCHEMBL15743860 0.67 SMN1; SMN2 (0.51) ACEHTTSMN1; SMN2LMNAKMT2A
SCHEMBL7428792 0.66 CYP2D6 (0.45) ENPP2ACEKMT2APOLBCYP2D6

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed