SCHEMBL8505688

SCHEMBL8505688

CCOC(=O)COC(=O)c1cc(Oc2cccc(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TTR P02766 1/20 0.45
▸ PPOX P50336 1/20 0.45
▸ EPAS1 Q99814 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 6/20 0.40
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ AR P10275 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL38860 0.83 MEN1 (0.68) KMT2ATDP1MEN1TTRPPOX
SCHEMBL10536730 0.82 MEN1 (0.67) KMT2ATDP1MEN1TTRPPOX
SCHEMBL27343161 0.82 TDP1 (0.65) KMT2ATDP1MEN1TTRPPOX
SCHEMBL28075235 0.81 TDP1 (0.46) KMT2ATDP1MEN1TTRPPOX
SCHEMBL11160981 0.81 TDP1 (0.48) KMT2ATDP1MEN1TTRPPOX
SCHEMBL11056890 0.81 TDP1 (0.53) KMT2ATDP1MEN1TTRPPOX
Acifluorfen SCHEMBL7578255 0.80 TDP1 (0.75) KMT2ATDP1MEN1TTRPPOX
SCHEMBL8534878 0.80 MEN1 (0.66) KMT2ATDP1MEN1TTRPPOX
Aclonifen SCHEMBL7580224 0.79 TDP1 (0.58) KMT2ATDP1MEN1TTRPPOX
Oxyfluorfen SCHEMBL7582082 0.79 MEN1 (0.61) KMT2ATDP1MEN1TTRPPOX

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
US-5858920-A SYNERGISTIC MIXTURE; PLANT SAFENING AGENT BAYER AKTIENGESELLSCHAFT (DE) 1999-01-12 — — US disclosed
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