SCHEMBL10507734

SCHEMBL10507734

CC(C)OC(=O)C(C)SC(=O)Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
TTR P02766 1/20 0.55
PPOX P50336 1/20 0.55
FFAR1 O14842 5/20 0.43
LMNA P02545 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 3/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 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
SCHEMBL10509904 0.90 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509491 0.87 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511268 0.86 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11361554 0.83 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10510059 0.83 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511461 0.82 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10507015 0.82 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509536 0.82 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10506940 0.81 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10510861 0.81 MEN1 (0.57) 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