SCHEMBL11664192

SCHEMBL11664192

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ GAA P10253 2/20 0.60
▸ MAPT P10636 7/20 0.51
▸ POLB P06746 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ BCL9 O00512 1/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ ADRB2 P07550 2/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ ADRB3 P13945 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL4457525 0.88 MAPT (0.56) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL11664357 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7270186 0.85 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL11663380 0.85 MEN1 (0.60) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL15060886 0.83 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL1496497 0.83 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL15060972 0.83 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1GAAMAPT
Bromide SCHEMBL11665376 0.83 MEN1 (0.60) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL18587967 0.82 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL21676007 0.81 POLB (0.53) KMT2AMEN1ALDH1A1MAPTPOLB

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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