SCHEMBL4408559

SCHEMBL4408559

CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])N([S])C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
S1PR4 O95977 1/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9177303 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
Butamifos SCHEMBL54426 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
Butamifos SCHEMBL29889547 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL29776928 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL8567473 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL10907764 0.75 CYP3A4 (0.44) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL8567480 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL8567477 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL7775360 0.72 TSHR (0.56) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
SCHEMBL11046676 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300590-B1 DOUBLING OF CHROMOSOMES IN HAPLOID MAIZE EMBRYOS PIONEER HI BRED INT (US) 2020-05-27 EP disclosed
EP-3300590-A1 DOUBLING OF CHROMOSOMES IN HAPLOID MAIZE EMBRYOS Pioneer Hi-Bred International Inc. (US) 2018-04-04 EP disclosed
EP-2111747-A2 Doubling of chomosomes in haploid embryos Pioneer Hi-Bred International Inc. (US) 2009-10-28 EP disclosed