SCHEMBL10896036

SCHEMBL10896036

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ TTR P02766 1/20 0.65
▸ PPOX P50336 1/20 0.65
▸ FFAR1 O14842 5/20 0.44
▸ LMNA P02545 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 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
SCHEMBL10890420 0.88 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378753 0.86 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377600 0.84 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378754 0.83 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10734707 0.83 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378777 0.83 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
Potassium Ion SCHEMBL10378573 0.83 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
Ammonia Solution, Strong SCHEMBL10379182 0.83 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378885 0.83 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379133 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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