SCHEMBL11294457

SCHEMBL11294457

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ TTR P02766 1/20 0.54
▸ PPOX P50336 1/20 0.54
▸ FFAR1 O14842 3/20 0.42
▸ LMNA P02545 6/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ GAA P10253 1/20 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
SCHEMBL10858870 0.91 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10853799 0.90 TDP1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11292209 0.89 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10853087 0.88 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11294454 0.85 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10857717 0.85 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856972 0.84 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10858859 0.84 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11054533 0.83 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10857447 0.83 MEN1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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