SCHEMBL11083646

SCHEMBL11083646

CCCC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)NCC1(C)OCCO1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
FFAR1 O14842 5/20 0.38
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.35
ACACB O00763 2/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL11199261 0.83 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11091007 0.83 TDP1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11090276 0.82 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11080021 0.81 TDP1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11081834 0.81 TDP1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11094022 0.78 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11087930 0.78 TDP1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11196315 0.77 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11087944 0.76 TDP1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11092823 0.76 TDP1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478634-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-10-23 US disclosed
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 US disclosed