SCHEMBL7074786

SCHEMBL7074786

CC(C)NC(=O)NC(N)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
EPHX1 P07099 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.36
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 2/20 0.33
MAPT P10636 2/20 0.32
FOLH1 Q04609 2/20 0.32

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
SCHEMBL745482 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL6686267 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL2878176 0.75
SCHEMBL10853286 0.72
SCHEMBL3074439 0.72
SCHEMBL7046781 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL17190631 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL19315826 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL23994365 0.70 LMNA (0.46) ALDH1A1MEN1KMT2ALMNACA12
Hydrochloric Acid SCHEMBL1616982 0.70

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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed