SCHEMBL28109489

SCHEMBL28109489

NCCCCCC(NCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.56
GSR P00390 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
CPB2 Q96IY4 5/20 0.46
RNPEP Q9H4A4 1/20 0.46
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
GGT1 P19440 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLG P00747 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR2 O60603 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL901403 1.00 FOLH1 (0.56) FOLH1GSRSLC6A5CPB2RNPEP
SCHEMBL43620 0.98 FOLH1 (0.57) FOLH1GSRSLC6A5CPB2RNPEP
SCHEMBL50111 0.98 FOLH1 (0.57) FOLH1GSRSLC6A5CPB2RNPEP
Water SCHEMBL28073715 0.96 FOLH1 (0.56) FOLH1GSRSLC6A5CPB2RNPEP
Water SCHEMBL380638 0.96 FOLH1 (0.56) FOLH1GSRSLC6A5CPB2RNPEP
SCHEMBL380767 0.96 FOLH1 (0.56) FOLH1GSRSLC6A5CPB2RNPEP
SCHEMBL11155336 0.92 FOLH1 (0.50) FOLH1GSRSLC6A5CPB2RNPEP
SCHEMBL28165413 0.92 FOLH1 (0.50) FOLH1GSRSLC6A5CPB2RNPEP
SCHEMBL11148798 0.92 FOLH1 (0.50) FOLH1GSRSLC6A5CPB2RNPEP
Trifluoroacetic Acid SCHEMBL28362804 0.89 FOLH1 (0.49) FOLH1GSRSLC6A5CPB2RNPEP

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
CN-106086022-A Cystic fibrosis prevention or therapeutic agent 国立大学法人三重大学 2016-11-09 CN disclosed