SCHEMBL11050825

SCHEMBL11050825

CCP(=O)(OCOC(=O)C(C)(C)C)c1cc(Oc2ccc(OC)cc2C)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 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
SCHEMBL11051493 0.85 PDE7A (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL11049687 0.84 TDP1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11051951 0.83 TDP1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11051934 0.81 MEN1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL11048860 0.81 ALDH1A1 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11050524 0.80 TDP1 (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11046034 0.79 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11049108 0.76 LMNA (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10854561 0.76 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL11051436 0.75 TDP1 (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1GAA

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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