SCHEMBL7159116

SCHEMBL7159116

NCCCCCCC(=O)C([C]=O)CCCCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLG P00747 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC6A2 P23975 1/20 0.43
RECQL P46063 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
PAOX Q6QHF9 2/20 0.42
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
GSR P00390 1/20 0.39
CPB2 Q96IY4 5/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 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
SCHEMBL7293344 1.00 MEN1 (0.43) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL1421942 1.00 MEN1 (0.43) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL934384 0.92 CES2 (0.44) MEN1KMT2ASLC6A5GNAI3GNAO1
SCHEMBL2770560 0.86 GNAI3 (0.42) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL9119248 0.81 CES2 (0.52)
SCHEMBL4958852 0.81 CES2 (0.52)
SCHEMBL8917791 0.81 CES2 (0.52)
SCHEMBL2304845 0.81 CES2 (0.52)
SCHEMBL5802863 0.81 CES2 (0.52)
SCHEMBL9868874 0.81 CES2 (0.52)

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-6545131-B1 Splitting drug with prostate specific antigen; activation of drug; antiproliferative agents THE JOHNS HOPKINS UNIVERSITY 2003-04-08 US disclosed