SCHEMBL3936347

SCHEMBL3936347

CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.NCCNCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA1 P00915 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL27460943 1.00 CA12 (0.36) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL2857385 0.94 PAOX (0.33) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL27603057 0.94 PAOX (0.33) CA12CA6CA7CA9CA14
SCHEMBL7143001 0.87 S1PR2 (0.39) LMNAALDH1A1
SCHEMBL6377300 0.87 S1PR2 (0.39) LMNAALDH1A1
SCHEMBL85990 0.80 GAA (0.38) MEN1KMT2AALDH1A1KDM4E
Acetic Acid SCHEMBL2854448 0.80 KMT2A (0.36) MEN1KMT2AALOX15ALDH1A1
Acetic Acid SCHEMBL27533996 0.80 KMT2A (0.36) MEN1KMT2AALOX15ALDH1A1
Ethylene SCHEMBL3939551 0.76 GAA (0.36) MEN1KMT2AALDH1A1KDM4E
Tempol Hydroxylamine SCHEMBL3946306 0.73 GAA (0.39) CA12CA6CA7CA9CA14

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-1954457-B1 COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS CIBA HOLDING INC (CH) 2009-04-15 EP claimed