SCHEMBL9953696

SCHEMBL9953696

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.41
LMNA P02545 3/20 0.39
BLM P54132 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLG P00747 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL9953431 1.00 ODC1 (0.41) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL9954611 0.94 ODC1 (0.47) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL9953669 0.94 ODC1 (0.47) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL2115160 0.89 ODC1 (0.48) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL28869340 0.87 ODC1 (0.47) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL29116696 0.83 ODC1 (0.56) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL31295695 0.79 ODC1 (0.38) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL522662 0.78 ODC1 (0.42) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL522663 0.78 ODC1 (0.42) ODC1LMNABLMSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8205379 0.76 BLM (0.43) ODC1LMNABLMSMN1; SMN2KDM4E

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-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 WO disclosed