SCHEMBL10953255

SCHEMBL10953255

COC(=O)COP(C)(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 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 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 5/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL10944300 0.92 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10873581 0.89 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10949685 0.88 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10944416 0.87 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10605091 0.87 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10947545 0.85 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10949055 0.84 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11204702 0.84 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10963877 0.84 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10948291 0.83 TDP1 (0.60) 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-4536355-A Phenoxyphenylaminoalkylphosphinates useful in weed control ZOECON CORPORATION (US) 1985-08-20 — — 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
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