SCHEMBL10378753

SCHEMBL10378753

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

nearest known ligand 0.62

Predicted protein targets (top 17)

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
▸ FFAR1 O14842 5/20 0.41
▸ LMNA P02545 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PYGL P06737 1/20 0.35
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL10378823 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378686 0.88 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377580 0.87 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379350 0.87 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378733 0.87 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379333 0.87 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10729973 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10896036 0.86 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378754 0.86 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379133 0.86 MEN1 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186989-B1 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) 1990-09-26 — — EP disclosed
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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