SCHEMBL4216170

SCHEMBL4216170

NCCCCCC(=O)C1CC(=O)N(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
PAOX Q6QHF9 1/20 0.36
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRKCA P17252 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL7128299 0.73 SIGMAR1 (0.32)
SCHEMBL17888966 0.72
SCHEMBL7203585 0.72 BRD4 (0.32)
SCHEMBL5881899 0.69 APEX1 (0.33) ALDH1A1BLMMAPTTSHR
SCHEMBL19244056 0.69 MEN1 (0.38) ALDH1A1MEN1PLGLMNATHRB
Aminocaproic Acid SCHEMBL724948 0.68 LMNA (0.61) ALDH1A1MEN1PLGLMNATHRB
SCHEMBL28059542 0.68 CCR2 (0.45) ALDH1A1KDM4E
SCHEMBL1408376 0.67 MAPT (0.35) ALDH1A1MEN1RECQLKMT2APOLB
SCHEMBL29810264 0.66 GSK3A (0.38) ALDH1A1LMNARECQLBLMNPSR1
SCHEMBL20692703 0.65 LMNA (0.50) ALDH1A1MEN1PLGLMNATHRB

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-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 US disclosed