SCHEMBL10508491

SCHEMBL10508491

CCC(=O)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
TTR P02766 1/20 0.66
PPOX P50336 1/20 0.66
FFAR1 O14842 5/20 0.51
LMNA P02545 7/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HPD P32754 1/20 0.42
HPGD P15428 1/20 0.42
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL11219424 0.90 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Propionic Acid SCHEMBL8849799 0.87 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL29352272 0.85 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL8539841 0.85 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL39004 0.85 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL17110635 0.85 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30689708 0.85 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10540835 0.85 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11124317 0.84 KMT2A (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11094022 0.84 MEN1 (0.62) 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-0161529-B1 2-NITRO-5-(2'-CHLORO-4'TRIFLUOROMETHYLPHENOXY)PHENYLACETIC ESTER, THIOESTER AND AMIDE, PROCESS FOR PREPARATION THEROF, HERBICIDAL COMPOSITION, AND METHOD FOR DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-07-12 EP disclosed
US-4698094-A 2-nitro-5-(2'chloro-4'trifluoromethylphenoxy)-phenylacetic esters, herbicidal composition, and method for destruction of undesirable weeds ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-10-06 US disclosed
EP-0161529-A2 2-nitro-5-(2'-chloro-4'trifluoromethylphenoxy)phenylacetic ester, thioester and amide, process for preparation therof, herbicidal composition, and method for destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP disclosed