SCHEMBL11113476

SCHEMBL11113476

CC(C)(CO)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ TTR P02766 1/20 0.69
▸ PPOX P50336 1/20 0.69
▸ FFAR1 O14842 4/20 0.45
▸ LMNA P02545 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PYGL P06737 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ VDR P11473 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
SCHEMBL11273099 0.94 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11112811 0.92 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11273114 0.91 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL30088466 0.89 MEN1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL5933816 0.89 MEN1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.88 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11403231 0.88 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500810 0.88 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11163955 0.87 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11286097 0.87 TDP1 (0.71) 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-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
EP-0066106-A1 New phenoxybenzoates, process for preparing these compounds, compositions containing them and method of use GAF CORPORATION (US) 1982-12-08 — — EP disclosed
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