SCHEMBL21029934

SCHEMBL21029934

CC(O)c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.46
MAPT P10636 4/20 0.44
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 3/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL13900800 0.87 MAPT (0.55) SIRT5MAPTKDM4EALDH1A1LMNA
SCHEMBL3993290 0.86 MAPT (0.47) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL7317466 0.84 PDE3B (0.46) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL7313188 0.83 LMNA (0.52) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL12992907 0.82 MAPT (0.44) SIRT5MAPTKDM4EALDH1A1LMNA
SCHEMBL7318303 0.82 KDM4E (0.47) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL7306695 0.82 PDE3B (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL7315992 0.82 PDE3B (0.49) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL10176161 0.82 MAPT (0.62) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL7314553 0.81 KDM4E (0.48) MAPTKDM4EALDH1A1LMNAMEN1

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-20220213471-A1 SMALL MOLECULE SCREENING CELLULAR ASSAY USING MODIFIED BEADS F. HOFFMANN-LA ROCHE AG (CH) 2022-07-07 US disclosed
WO-2019104070-A1 O-NITROBENZYL PHOTOCLEAVABLE BIFUNCTIONAL LINKER NANOSTRING TECHNOLOGIES, INC. (US) 2019-05-31 WO disclosed