SCHEMBL7718396

SCHEMBL7718396

N=C(N)NCCCC[C@@](N)(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALB P02768 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ARG1 P05089 1/20 0.31
SPHK1 Q9NYA1 3/20 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
SCHEMBL2993885 0.79 TSHR (0.31) SMN1; SMN2ALDH1A1POLB
SCHEMBL6130815 0.79 ALOX15 (0.39) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL30153590 0.78 ARG1 (0.40) SMN1; SMN2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL263015 0.78 ALOX15 (0.40) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27751170 0.78 ALOX15 (0.40) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10663925 0.77 ODC1 (0.53) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27464347 0.76 SMN1; SMN2 (0.46) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
Synthalin SCHEMBL29526432 0.76 MEN1 (0.52) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6431682 0.75 ARG1 (0.47) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL202490 0.75 ARG1 (0.47) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2

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
US-6376649-B1 REACTING A N-TERMINALLY BLOCKED AMINOALDEHYDE WITH AN ISONITRILE AND A CARBOXYLIC ACID TO GIVE AN AMINO-ALPHA-ACYLOXYCARBOXAMIDE; REMOVING THE ACYLOXY GROUP, OR REMOVING THE PROTECTING GROUP GIVE THE DERIVATIVE. CORVAS INTERNATIONAL, INC. 2002-04-23 US disclosed