SCHEMBL10951063

SCHEMBL10951063

COP(=O)(COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-])OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.58
▸ S1PR4 O95977 3/20 0.46
▸ PDE7A Q13946 2/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL10947981 0.92 PDE7A (0.54) TDP1S1PR4PDE7AMAPK1MEN1
SCHEMBL10950818 0.90 TDP1 (0.45) TDP1PDE7AMAPK1MEN1KMT2A
SCHEMBL10949311 0.89 TDP1 (0.46) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10948472 0.86 MEN1 (0.59) TDP1MAPK1MEN1KMT2ATTR
SCHEMBL11149455 0.86 TDP1 (0.60) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10881418 0.85 TDP1 (0.61) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL11742834 0.83 TDP1 (0.57) TDP1S1PR4PDE7AMAPK1TSHR
Chlomethoxyfen SCHEMBL38653 0.83 TDP1 (0.68) TDP1S1PR4PDE7AMAPK1TSHR
Chlomethoxyfen SCHEMBL8538106 0.83 TDP1 (0.68) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL11157129 0.83 TDP1 (0.58) TDP1S1PR4PDE7AMAPK1TSHR

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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