SCHEMBL10501353

SCHEMBL10501353

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

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ TTR P02766 1/20 0.74
▸ PPOX P50336 1/20 0.74
▸ FFAR1 O14842 3/20 0.47
▸ PPARD Q03181 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ LMNA P02545 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PYGL P06737 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL11265405 0.98 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11267490 0.97 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11273744 0.97 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.96 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11115029 0.95 MEN1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9342662 0.95 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11116172 0.93 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500810 0.93 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338042 0.93 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500001 0.93 MEN1 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4797505-A Process for the preparation of substituted diphenyl ethers GAF CORPORATION (US) 1989-01-10 — — US claimed
EP-0066106-A1 New phenoxybenzoates, process for preparing these compounds, compositions containing them and method of use GAF CORPORATION (US) 1982-12-08 — — EP claimed
US-4797505-A Process for the preparation of substituted diphenyl ethers GAF CORPORATION (US) 1989-01-10 — — 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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