SCHEMBL11199261

SCHEMBL11199261

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TTR P02766 1/20 0.60
PPOX P50336 1/20 0.60
FFAR1 O14842 5/20 0.46
LMNA P02545 6/20 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
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL11094022 0.93 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7818103 0.86 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8381279 0.84 FFAR1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9438294 0.83 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10508491 0.83 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11083646 0.83 MEN1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10614668 0.83 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10616508 0.82 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11184985 0.82 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11087930 0.82 TDP1 (0.48) 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
US-4404018-A Furfuryl amides of phenoxyphenoxyalkanoic acids and herbicidal use VELSICOL CHEMICAL CORPORATION (US) 1983-09-13 US disclosed