SCHEMBL11290100

SCHEMBL11290100

CCNC(=O)N(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.34
FAAH O00519 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTT P42858 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
Propane SCHEMBL9435607 0.82
SCHEMBL969221 0.81 ALDH1A1 (0.43) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL3934067 0.81 ALDH1A1 (0.43) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL4572776 0.80 ALDH1A1 (0.40) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL22187034 0.80 MMP1 (0.41) ALDH1A1GAAMMP1MMP2MMP3
Ethane SCHEMBL9435694 0.79
SCHEMBL2289930 0.78
SCHEMBL9475754 0.77 ALDH1A1 (0.41) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL13778398 0.77 CA12 (0.46) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL7765563 0.77 ALDH1A1 (0.42) ALDH1A1GAAMMP1MMP2MMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045835-A1 Self-extinguishing polymeric compositions Eigenmann, Ludwig, Dr. (CH) 1982-02-17 EP claimed
EP-0045835-A1 Self-extinguishing polymeric compositions Eigenmann, Ludwig, Dr. (CH) 1982-02-17 EP disclosed