SCHEMBL11116937

SCHEMBL11116937

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ TTR P02766 1/20 0.72
▸ PPOX P50336 1/20 0.72
▸ FFAR1 O14842 3/20 0.49
▸ PYGL P06737 1/20 0.47
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ AKR1B1 P15121 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42

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
SCHEMBL10499965 0.94 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11106908 0.92 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500001 0.92 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11441532 0.91 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11265405 0.91 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10501353 0.91 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10648910 0.90 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10495348 0.90 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11106028 0.90 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11024642 0.90 MEN1 (0.70) 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-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
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