SCHEMBL7742273

SCHEMBL7742273

CC(C)(C)OC[C@@H](C(N)=O)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
AKT1 P31749 2/20 0.39
RIPK1 Q13546 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1576833 0.92 MEN1 (0.41) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL1258469 0.81 ACACB (0.40) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL27171227 0.79 MEN1 (0.50) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL27171232 0.79 MEN1 (0.50) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL25342640 0.77 EPHX1 (0.50) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL25342645 0.77 EPHX1 (0.50) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL2490488 0.77 RIPK1 (0.43) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL28137098 0.76 MEN1 (0.44) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL1577179 0.76 MEN1 (0.44) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL1259156 0.75 MEN1 (0.50) MEN1KMT2AAKT1

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
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed