SCHEMBL28549832

SCHEMBL28549832

O=C1CCCCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SLC18A3 Q16572 1/20 0.43
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL28557786 0.98 ALDH1A1 (0.47) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL9330752 0.81 LMNA (0.51) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL31730148 0.76 LMNA (0.43) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL6434415 0.75 ESR2 (0.48) ALOX12
SCHEMBL8381617 0.75 DDB1 (0.50) SLC18A3KMT2A
SCHEMBL19993834 0.75 LMNA (0.42) MAPTLMNAPOLBGAAMEN1
SCHEMBL513149 0.75 LMNA (0.42) LMNAALDH1A1MEN1KMT2A
SCHEMBL1616775 0.75 KDM4E (0.42) MAPTPOLBALDH1A1TP53SMN1; SMN2
SCHEMBL1138156 0.75 NPC1 (0.45) MAPTLMNAGAAALDH1A1TP53
SCHEMBL28649636 0.75 TLR4 (0.42) MAPTSLC18A3EPHX1KMT2A

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-109232149-B Synthetic method of alpha-fluoro-alpha-substituted ketone with fluorine-containing quaternary carbon central structure 兰州大学 2021-04-02 CN disclosed