SCHEMBL10921675

SCHEMBL10921675

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ TTR P02766 1/20 0.61
▸ PPOX P50336 1/20 0.61
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ FFAR1 O14842 2/20 0.42
▸ PPARD Q03181 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ PYGL P06737 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ HPGD P15428 2/20 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
SCHEMBL10922255 0.90 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10991679 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11113930 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10999784 0.87 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10499965 0.86 TDP1 (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10501353 0.84 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11265405 0.84 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.84 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30088466 0.84 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11116172 0.84 TDP1 (0.68) 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 3 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
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
Send feedback