SCHEMBL14515261

SCHEMBL14515261

CCC(=O)OCC(O)CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TTR P02766 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11665150 0.89 MEN1 (0.45) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL14515265 0.87 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL15087420 0.86 MEN1 (0.43) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL15087419 0.86 KMT2A (0.43) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL15756373 0.83 MEN1 (0.41) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL4457525 0.82 MAPT (0.56) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL11665294 0.81 MEN1 (0.46) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL11662243 0.80 PRSS1 (0.47) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL11662188 0.80 MEN1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL11662257 0.80 MEN1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA

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-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 — — US disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 — — US disclosed
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