SCHEMBL11664047

SCHEMBL11664047

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 3/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAOB P27338 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
SCHEMBL14515253 1.00 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL14515255 1.00 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL11664357 0.88 KMT2A (0.64) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL4457525 0.87 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL11665934 0.85 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL14515256 0.85 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL14515262 0.85 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL15756368 0.84 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL14515285 0.83 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL5038535 0.82 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1MEN1

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-7258972-B2 Process for generating the idiosyncratic catalytic imprint of a sample, the processing of said imprint and the systems for implementation thereof PROTEUS (FR) 2007-08-21 — — US disclosed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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