SCHEMBL11107404

SCHEMBL11107404

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ TTR P02766 1/20 0.68
▸ PPOX P50336 1/20 0.68
▸ LMNA P02545 7/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ FFAR1 O14842 3/20 0.46
▸ PPARD Q03181 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PYGL P06737 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
SCHEMBL10500001 0.96 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10500810 0.94 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10499965 0.93 TDP1 (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11110522 0.91 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11109698 0.91 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11265405 0.90 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10501353 0.90 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10919922 0.90 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9338282 0.89 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11024642 0.89 MEN1 (0.70) 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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