SCHEMBL10822747

SCHEMBL10822747

CCOC(=O)C(C(=O)OCC)(C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ TTR P02766 1/20 0.52
▸ PPOX P50336 1/20 0.52
▸ LMNA P02545 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ HPGD P15428 2/20 0.37

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
SCHEMBL10822373 0.91 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38930 0.80 TDP1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10822751 0.80 MEN1 (0.49) MEN1KMT2ATDP1TTRPPOX
Acetic Acid SCHEMBL28644187 0.79 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
Hydrochloric Acid SCHEMBL27554382 0.79 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL15441532 0.79 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1902740 0.79 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28965472 0.79 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768864 0.78 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10822496 0.78 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX

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 claimed
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