SCHEMBL11664357

SCHEMBL11664357

CC(=O)OCC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.60
▸ GAA P10253 2/20 0.59
▸ PKM P14618 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MAPT P10636 7/20 0.56
▸ POLB P06746 3/20 0.56
▸ LMNA P02545 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAOB P27338 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ADRB2 P07550 2/20 0.49
▸ ADRB1 P08588 2/20 0.49
▸ ADRB3 P13945 2/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7270186 0.88 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL14515253 0.88 MAPT (0.55) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL14515255 0.88 MAPT (0.55) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL11664047 0.88 MAPT (0.55) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL7082811 0.86 MAPT (0.68) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL11664192 0.86 KMT2A (0.62) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL28531533 0.84 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL11665281 0.83 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL11666008 0.83 AR (0.57) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL11569325 0.83 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1GAAPKM

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
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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