SCHEMBL10857037

SCHEMBL10857037

CCP(=O)(O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.58
▸ PDE7A Q13946 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ S1PR4 O95977 2/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TTR P02766 1/20 0.43
▸ PPOX P50336 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 2/20 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
SCHEMBL10860196 0.92 PDE7A (0.54) TDP1PDE7AALDH1A1S1PR4MEN1
SCHEMBL10853848 0.89 TDP1 (0.46) TDP1PDE7AALDH1A1S1PR4MEN1
SCHEMBL11048611 0.88 TDP1 (0.56) TDP1PDE7AALDH1A1S1PR4MEN1
SCHEMBL10861112 0.87 TDP1 (0.61) TDP1PDE7AALDH1A1S1PR4MEN1
SCHEMBL10854591 0.87 TDP1 (0.41) TDP1PDE7AALDH1A1MEN1KMT2A
SCHEMBL10852601 0.86 MEN1 (0.62) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL11044970 0.86 TDP1 (0.42) TDP1ALDH1A1S1PR4MEN1KMT2A
SCHEMBL10854686 0.86 TDP1 (0.57) TDP1PDE7AALDH1A1S1PR4MEN1
Hydrochloric Acid SCHEMBL10855963 0.86 MEN1 (0.61) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL10852632 0.82 TDP1 (0.60) TDP1PDE7AALDH1A1S1PR4MEN1

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-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
US-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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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