SCHEMBL10947220

SCHEMBL10947220

CCOP(C)(=O)C(C)Oc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33

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
SCHEMBL10949685 0.90 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10949091 0.84 MEN1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10952797 0.84 MEN1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11200433 0.81 MAPT (0.35) LMNAALDH1A1CYP3A4TSHRMAPT
SCHEMBL11202097 0.81 MAPT (0.34) MEN1KMT2ATDP1TTRLMNA
SCHEMBL10944300 0.81 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10950904 0.80 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10947216 0.80 PDE7A (0.48) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL11199382 0.80 MAPT (0.34) LMNAALDH1A1MAPT
SCHEMBL10944416 0.80 TDP1 (0.56) 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 4 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
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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