SCHEMBL10953387

SCHEMBL10953387

CCOP(=O)(COc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ FFAR1 O14842 3/20 0.41
▸ LMNA P02545 7/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10947829 0.92 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10948472 0.91 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10945601 0.91 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10616756 0.90 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10945834 0.88 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11092719 0.88 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11095194 0.88 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL8539841 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL39004 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL29352272 0.88 MEN1 (0.65) 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-4556520-A HERBICIDES, INSECTICIDES ZOECON CORPORATION (US) 1985-12-03 — — US disclosed
US-4456464-A Phenoxy- and pyridyloxy-phenoxyalkyl phosphinates and related sulfur compounds for weed control ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
EP-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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