SCHEMBL10787333

SCHEMBL10787333

CC(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ TTR P02766 1/20 0.60
▸ PPOX P50336 1/20 0.60
▸ LMNA P02545 6/20 0.50
▸ MAPT P10636 6/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CCR6 P51684 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ PYGL P06737 1/20 0.44
▸ HPD P32754 1/20 0.43

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
SCHEMBL11035747 0.91 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10791384 0.88 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10788540 0.86 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10831780 0.85 MEN1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500814 0.85 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786867 0.84 TDP1 (0.81) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10852284 0.83 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2233678 0.82 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9796528 0.81 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9343367 0.81 TDP1 (0.69) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4681622-A 2-NITRO-5-(SUBSTITUTED-PHENOXY) BENZOIC ACIDS RHONE-POULENC AGROCHIMIE (FR) 1987-07-21 — — US disclosed
US-4606758-A Substituted phenoxybenzoic acids and derivative thereof as herbicides RHONE-POULENC AGROCHIMIE (FR) 1986-08-19 — — US disclosed
US-RE32216-E Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-29 — — US disclosed
US-RE32215-E Substituted phenoxybenzoic acids compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-22 — — US disclosed
US-RE31831-E Substituted phenoxybenzoic acids and esters thereof RHONE-POULENC AGROCHIMIE (FR) 1985-02-12 — — US disclosed
US-4164409-A Substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4164408-A Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4002662-A HERBICIDES MOBIL OIL CORPORATION (US) 1977-01-11 — — US disclosed
US-3979437-A HERBICIDES MOBIL OIL CORPORATION (US) 1976-09-07 — — US disclosed
US-3941830-A HERBICIDE MOBIL OIL CORPORATION (US) 1976-03-02 — — US disclosed
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