SCHEMBL11024642

SCHEMBL11024642

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ TTR P02766 1/20 0.70
▸ PPOX P50336 1/20 0.70
▸ FFAR1 O14842 3/20 0.48
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ PPARD Q03181 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ PYGL P06737 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 2/20 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
SCHEMBL10499965 0.95 TDP1 (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11112246 0.93 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9338282 0.93 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10500001 0.92 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
Methyl Alcohol SCHEMBL11112254 0.92 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11265405 0.91 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10501353 0.91 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11358473 0.91 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11110854 0.91 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11066061 0.91 MEN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028277-B1 SUBSTITUTED DIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND METHOD OF COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1985-01-23 — — EP disclosed
EP-0028277-A1 Substituted diphenyl ethers, herbicidal compositions containing them and method of combating weeds ROHM AND HAAS COMPANY (US) 1981-05-13 — — EP disclosed
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