SCHEMBL21153877

SCHEMBL21153877

CCNC(C)(C)C(=O)N[C@H](CS)C(=O)NC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.36
MMP1 P03956 10/20 0.35
MMP3 P08254 9/20 0.35
ACE P12821 1/20 0.34
MMP9 P14780 8/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21153868 0.87 ACE (0.38) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21153875 0.85 BMP1 (0.39) BMP1MMP1MMP3ACEMMP9
SCHEMBL21153260 0.84 BMP1 (0.35) BMP1MMP1MMP3ACEMMP9
SCHEMBL21153327 0.80 BMP1 (0.34) BMP1MMP1MMP3ACEKDM4E
SCHEMBL21153056 0.78 MMP3 (0.32) MMP1MMP3MMP9
SCHEMBL21153259 0.75 BMP1 (0.37) BMP1MMP1MMP3ACEMMP9
SCHEMBL19934720 0.73 ACE (0.30) ACE
SCHEMBL4990551 0.73 BMP1 (0.45) BMP1MMP1MMP3ACEMMP9
SCHEMBL21134851 0.73 BMP1 (0.43) BMP1MMP1MMP3ACEMMP9
SCHEMBL21153022 0.73 BMP1 (0.43) BMP1MMP1MMP3ACEMMP9

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-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 EP disclosed