SCHEMBL11049687

SCHEMBL11049687

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TTR P02766 1/20 0.40
▸ PPOX P50336 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ PDE7A Q13946 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL11051493 0.94 PDE7A (0.43) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11051951 0.91 TDP1 (0.40) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11051934 0.90 MEN1 (0.54) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11050524 0.89 TDP1 (0.37) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11050825 0.84 KMT2A (0.39) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL11051436 0.83 TDP1 (0.53) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10854686 0.82 TDP1 (0.57) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11051747 0.82 MEN1 (0.53) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11048860 0.81 ALDH1A1 (0.39) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11048200 0.81 MEN1 (0.51) TDP1KMT2AMEN1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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