SCHEMBL28869340

SCHEMBL28869340

NCCCCCC(N)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.47
LMNA P02545 4/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLG P00747 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A3 Q01959 1/20 0.46
BLM P54132 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FDPS P14324 2/20 0.43
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL2115160 0.98 ODC1 (0.48) ODC1LMNATHRBKMT2AMEN1
SCHEMBL29116696 0.90 ODC1 (0.56) ODC1LMNATHRBKMT2AMEN1
SCHEMBL9953431 0.87 ODC1 (0.41) ODC1LMNATHRBKMT2AMEN1
SCHEMBL9953696 0.87 ODC1 (0.41) ODC1LMNATHRBKMT2AMEN1
SCHEMBL522662 0.85 ODC1 (0.42) ODC1LMNATHRBKMT2AMEN1
SCHEMBL522663 0.85 ODC1 (0.42) ODC1LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL8205379 0.83 BLM (0.43) ODC1LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL8205380 0.83 BLM (0.43) ODC1LMNATHRBKMT2AMEN1
SCHEMBL4278877 0.83 ODC1 (0.46) ODC1LMNATHRBKMT2AMEN1
SCHEMBL31295695 0.82 ODC1 (0.38) ODC1LMNATHRBKMT2AMEN1

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-109414012-A Agrochemical formulations based on emulsion polymer 拜耳作物科学股份公司 2019-03-01 CN disclosed