SCHEMBL15087420

SCHEMBL15087420

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ XDH P47989 1/20 0.39
▸ TTR P02766 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 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) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14515261 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL15087419 0.85 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL15756373 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11665294 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11662243 0.79 PRSS1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11662188 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11662257 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11663778 0.78 RAB9A (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11659747 0.78 RAB9A (0.42) MEN1KMT2AALDH1A1KDM4EMAPT

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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