SCHEMBL7586808

SCHEMBL7586808

COC(=O)CCOc1ncccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 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
SCHEMBL3248072 0.86 LMNA (0.56) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL8564326 0.81 ALDH1A1 (0.59) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL27829038 0.80 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL2368431 0.80 ALDH1A1 (0.56) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL31701918 0.80 ALDH1A1 (0.60) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL13397400 0.80 LMNA (0.62) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL7374705 0.79 LMNA (0.49) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL23343548 0.79 ALDH1A1 (0.59) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL7581695 0.79 PPARG (0.45) LMNAALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL7587819 0.77 GRM4 (0.44) LMNAALDH1A1KMT2AL3MBTL1TDP1

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
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed