SCHEMBL11086196

SCHEMBL11086196

CCN(CC1OCCO1)C(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
ALDH1A1 P00352 4/20 0.40
FFAR1 O14842 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11085628 0.94 TDP1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11081610 0.91 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11083123 0.91 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11089314 0.89 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11090667 0.86 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087944 0.84 TDP1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11084866 0.82 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11084325 0.81 MEN1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11087930 0.81 TDP1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10614668 0.80 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX

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
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 US claimed
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