SCHEMBL14515285

SCHEMBL14515285

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ POLB P06746 2/20 0.52
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL11665281 0.87 ALDH1A1 (0.67) MAPTNPC1ALDH1A1PKMMAPK1
SCHEMBL14515255 0.83 MAPT (0.55) MAPTALDH1A1PKMMAPK1POLB
SCHEMBL14515253 0.83 MAPT (0.55) MAPTALDH1A1PKMMAPK1POLB
SCHEMBL11664047 0.83 MAPT (0.55) MAPTALDH1A1PKMMAPK1POLB
SCHEMBL11663778 0.82 RAB9A (0.53) MAPTNPC1ALDH1A1PKMMAPK1
SCHEMBL14515287 0.81 CYP2C9 (0.55) MAPTALDH1A1PKMMAPK1POLB
SCHEMBL11663355 0.80 MAPT (0.52) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL5044155 0.79 GAA (0.53) MAPTALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL14515208 0.79 GAA (0.53) MAPTALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL11664308 0.79 MMP2 (0.64) MAPTALDH1A1PKMMAPK1KCNH2

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 5 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-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
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
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
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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