SCHEMBL11277001

SCHEMBL11277001

CCC(CCOC(=O)N(CC)CC)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ PYGL P06737 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ UGCG Q16739 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPARD Q03181 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
SCHEMBL11113930 0.85 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11277011 0.82 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768682 0.80 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768703 0.79 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991967 0.78 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768714 0.78 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10921675 0.78 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10996186 0.77 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11362184 0.77 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768750 0.77 TDP1 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066106-A1 New phenoxybenzoates, process for preparing these compounds, compositions containing them and method of use GAF CORPORATION (US) 1982-12-08 — — EP disclosed
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