SCHEMBL10729973

SCHEMBL10729973

COCCOC(=O)COCC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ LMNA P02545 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ FFAR1 O14842 3/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PPARG P37231 1/20 0.40
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ PYGL P06737 1/20 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
SCHEMBL10377580 0.92 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379333 0.92 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378686 0.92 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378823 0.91 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379350 0.91 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10735214 0.88 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377600 0.88 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11112246 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379268 0.87 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11024642 0.87 MEN1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708734-A HIGH SELECTIVITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 — — US disclosed
EP-0186989-A2 5-(2-chloro-4-trifluoromethylphenoxy)-2-nitro-alpha-substituted-acetophenone, oxime derivative thereof, process for preparing thereof, herbicidal composition, and method for the destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-09 — — EP disclosed
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