SCHEMBL10918161

SCHEMBL10918161

CN(C)C(=O)OCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ TTR P02766 1/20 0.67
▸ PPOX P50336 1/20 0.67
▸ FFAR1 O14842 5/20 0.46
▸ PPARD Q03181 2/20 0.43
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ PYGL P06737 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL10919922 0.97 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10921291 0.96 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.93 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11113930 0.91 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10997851 0.90 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11024642 0.90 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338282 0.90 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500001 0.90 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
Methyl Alcohol SCHEMBL11112254 0.89 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11265405 0.89 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4568382-A Herbicidal compounds, compositions, and method of use GAF CORPORATION (US) 1986-02-04 — — US disclosed
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
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