SCHEMBL11109698

SCHEMBL11109698

O=C(CCl)OCCOCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ FFAR1 O14842 3/20 0.45
▸ LMNA P02545 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PPARD Q03181 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL11110522 1.00 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11111923 0.97 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10500001 0.95 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11111930 0.94 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10499965 0.92 TDP1 (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11107404 0.91 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11110854 0.89 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11060613 0.89 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9338042 0.89 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11062787 0.88 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX

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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