SCHEMBL10378686

SCHEMBL10378686

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TTR P02766 1/20 0.65
▸ PPOX P50336 1/20 0.65
▸ FFAR1 O14842 3/20 0.42
▸ LMNA P02545 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PPARD Q03181 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PYGL P06737 1/20 0.36

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) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379333 0.92 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10729973 0.92 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10378823 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379350 0.89 MEN1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10378733 0.88 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10378753 0.88 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10377716 0.87 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338042 0.86 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10378687 0.86 TDP1 (0.67) 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 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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