SCHEMBL11048860

SCHEMBL11048860

CCP(=O)(OCOC(=O)C(C)(C)C)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TTR P02766 1/20 0.38
▸ PPOX P50336 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL11051934 0.89 MEN1 (0.54) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL11049108 0.85 LMNA (0.44) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL10854076 0.83 LMNA (0.39) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL11050524 0.83 TDP1 (0.37) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL11051436 0.82 TDP1 (0.53) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL10851709 0.82 LMNA (0.40) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL11051493 0.82 PDE7A (0.43) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL11049687 0.81 TDP1 (0.50) ALDH1A1MEN1KMT2ATTRPPOX
SCHEMBL11050825 0.81 KMT2A (0.39) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL11051951 0.80 TDP1 (0.40) ALDH1A1MEN1KMT2ATTRPPOX

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-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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