SCHEMBL9565880

SCHEMBL9565880

CCOc1cc(-c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ PPOX P50336 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FGFR4 P22455 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PPARD Q03181 4/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ HPGD P15428 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
SCHEMBL11061094 0.87 CHEK1 (0.48) MAPTMEN1KMT2AALDH1A1CYP3A4
Oxyfluorfen SCHEMBL28190722 0.81 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1CYP3A4
Oxyfluorfen SCHEMBL8539841 0.81 MEN1 (0.65) MAPTMEN1KMT2AALDH1A1CYP3A4
Oxyfluorfen SCHEMBL29352272 0.81 MEN1 (0.65) MAPTMEN1KMT2AALDH1A1CYP3A4
Oxyfluorfen SCHEMBL39004 0.81 MEN1 (0.65) MAPTMEN1KMT2AALDH1A1CYP3A4
Oxyfluorfen SCHEMBL11018176 0.80 MEN1 (0.64) MAPTMEN1KMT2AALDH1A1CYP3A4
Oxyfluorfen SCHEMBL11018179 0.80 MEN1 (0.64) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL34468346 0.80 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3304614 0.80 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1CYP3A4
Ether SCHEMBL11042007 0.80 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1CYP3A4

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
EP-0548593-A1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient Mitsubishi Chemical Corporation (JP) 1993-06-30 — — EP disclosed
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