SCHEMBL10822373

SCHEMBL10822373

CCOC(=O)C(C(=O)OCC)(C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ FFAR1 O14842 3/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 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
SCHEMBL10822747 0.91 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10822496 0.88 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL5933816 0.85 MEN1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL30088466 0.85 MEN1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9575568 0.83 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10822638 0.83 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL21653869 0.82 TDP1 (0.80) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10996186 0.82 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11114585 0.82 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL5809811 0.82 TDP1 (0.79) TDP1MEN1KMT2ATTRPPOX

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-4596883-A Herbicidally active substituted diphenyl ethers PPG INDUSTRIES, INC. (US) 1986-06-24 — — US disclosed
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