SCHEMBL15087419

SCHEMBL15087419

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ADRB2 P07550 4/20 0.42
▸ ADRB1 P08588 4/20 0.42
▸ ADRB3 P13945 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ TTR P02766 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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 0.88 MEN1 (0.45) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL14515261 0.86 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL15087420 0.85 MEN1 (0.43) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL15756373 0.83 MEN1 (0.41) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL11665294 0.80 MEN1 (0.46) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL11662243 0.79 PRSS1 (0.47) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL11662188 0.79 MEN1 (0.41) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL11662257 0.79 MEN1 (0.41) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL11663778 0.78 RAB9A (0.53) KMT2AMEN1ALDH1A1KDM4ETTR
SCHEMBL11659747 0.78 RAB9A (0.42) KMT2AMEN1ALDH1A1KDM4ETTR

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-1285086-B1 METHOD FOR LIBERATING A PRODUCT COMPRISING A CHEMICAL OXYDATION, DETECTION OF THE PRODUCT AND FURTHER APPLICATIONS PROTEUS (FR) 2013-07-03 — — EP disclosed
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