SCHEMBL5319006

SCHEMBL5319006

CC(=O)CCC(C)(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
SLC15A2 Q16348 1/20 0.34
MEN1 O00255 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9334375 0.77 ALDH1A1 (0.47) ALDH1A1LMNASLC15A2MEN1BLM
SCHEMBL18486262 0.74 LMNA (0.43) ALDH1A1LMNASLC15A2MEN1BLM
SCHEMBL2124564 0.74 ALDH1A1 (0.36) ALDH1A1LMNAMEN1BLMHBB
SCHEMBL27219433 0.69 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2
SCHEMBL31512392 0.69 ALDH1A1 (0.41) ALDH1A1LMNASLC15A2L3MBTL1
SCHEMBL31512391 0.69 ALDH1A1 (0.41) ALDH1A1LMNASLC15A2L3MBTL1
SCHEMBL2612046 0.69 ALDH1A1 (0.45) ALDH1A1LMNASLC15A2MEN1KMT2A
SCHEMBL2199988 0.69 ALDH1A1 (0.45) ALDH1A1LMNASLC15A2MEN1KMT2A
SCHEMBL9512575 0.68 ALDH1A1 (0.35) ALDH1A1LMNASLC15A2
SCHEMBL17281804 0.67 TSHR (0.40) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed