SCHEMBL13074752

SCHEMBL13074752

CC1(C)CC(N(P)C(=O)O)CC(C)(C)N1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
APLNR P35414 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
SCHEMBL21163316 0.72 GAA (0.46) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL16626762 0.70 ALDH1A1 (0.40) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL1401924 0.70 ALDH1A1 (0.45) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL18900991 0.70 ALDH1A1 (0.45) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL4960134 0.69 ALDH1A1 (0.37) ALDH1A1ALOX15GAAL3MBTL1PKM
SCHEMBL416167 0.69 APLNR (0.58) ALDH1A1ALOX15GAAL3MBTL1KDM4E
SCHEMBL18901300 0.69 GAA (0.43) ALDH1A1ALOX15GAAL3MBTL1KDM4E
Tempol Hydroxylamine SCHEMBL27512719 0.67 GAA (0.46) ALDH1A1ALOX15GAAL3MBTL1KDM4E
Tempol Hydroxylamine SCHEMBL986355 0.67 GAA (0.46) ALDH1A1ALOX15GAAL3MBTL1KDM4E
Tempol Hydroxylamine SCHEMBL7526287 0.67 GAA (0.46) ALDH1A1ALOX15GAAL3MBTL1KDM4E

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-2045289-B1 Modified butyl rubber composition YOKOHAMA RUBBER CO LTD (JP) 2010-11-17 EP disclosed