SCHEMBL10854686

SCHEMBL10854686

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ PDE7A Q13946 2/20 0.44
▸ S1PR4 O95977 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ 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 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ TP53 P04637 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
SCHEMBL10862805 0.89 TDP1 (0.45) TDP1PDE7AS1PR4TSHRALDH1A1
SCHEMBL10857434 0.87 MEN1 (0.58) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL11048611 0.87 TDP1 (0.56) TDP1PDE7AS1PR4MAPK1TSHR
SCHEMBL10857037 0.86 TDP1 (0.58) TDP1PDE7AS1PR4MAPK1TSHR
SCHEMBL10852632 0.85 TDP1 (0.60) TDP1PDE7AS1PR4MAPK1TSHR
SCHEMBL10854845 0.82 LMNA (0.46) TDP1MAPK1TSHRALDH1A1LMNA
SCHEMBL11049687 0.82 TDP1 (0.50) TDP1PDE7AS1PR4ALDH1A1MEN1
SCHEMBL10861112 0.82 TDP1 (0.61) TDP1PDE7AS1PR4MAPK1TSHR
SCHEMBL10855519 0.81 PPARG (0.37) TDP1S1PR4MAPK1ALDH1A1MEN1
SCHEMBL10951063 0.79 TDP1 (0.58) TDP1PDE7AS1PR4MAPK1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — 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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