SCHEMBL11264195

SCHEMBL11264195

O=C(OCC=CCO)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.67
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ PPOX P50336 1/20 0.49
▸ MAPT P10636 5/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ JMJD7 P0C870 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ S1PR4 O95977 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
SCHEMBL11260787 0.88 TDP1 (0.68) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11260790 0.88 TDP1 (0.68) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9852597 0.84 TDP1 (0.78) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9343312 0.83 TDP1 (0.72) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10501212 0.83 TDP1 (0.73) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10501224 0.83 TDP1 (0.73) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11671817 0.82 TDP1 (0.74) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9342535 0.81 TDP1 (0.78) TDP1KMT2AMEN1TTRPPOX
Bifenox SCHEMBL30862569 0.81 TDP1 (1.00) TDP1KMT2AMEN1TTRPPOX
Bifenox SCHEMBL8541647 0.81 TDP1 (1.00) 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
EP-0066106-A1 New phenoxybenzoates, process for preparing these compounds, compositions containing them and method of use GAF CORPORATION (US) 1982-12-08 — — EP disclosed
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