SCHEMBL8768456

SCHEMBL8768456

CC(C)C[C@H](NCO)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
HPGDS O60760 2/20 0.37
SLC7A5 Q01650 1/20 0.37
CNR2 P34972 3/20 0.36
MAPT P10636 1/20 0.36
LAP3 P28838 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
FOLH1 Q04609 3/20 0.34
ANPEP P15144 1/20 0.34
DNPEP Q9ULA0 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
SCHEMBL8768447 1.00 ALDH1A1 (0.41) ALDH1A1MEN1LMNAKMT2AMMP2
SCHEMBL7916647 0.84 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AMMP2
SCHEMBL13637118 0.83 MMP3 (0.44) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL15834154 0.83 MMP3 (0.44) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL13185402 0.83 MMP3 (0.44) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL17826032 0.83 MAPT (0.44) ALDH1A1MEN1LMNAKMT2AMMP2
SCHEMBL8373319 0.80 ALDH1A1 (0.40) ALDH1A1MEN1LMNAKMT2AMMP2
SCHEMBL6377334 0.80 MMP1 (0.39) ALDH1A1MEN1LMNAKMT2AHPGDS
SCHEMBL7563707 0.80 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2ASLC7A5
SCHEMBL7563709 0.80 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2ASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO claimed
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed