SCHEMBL7317841

SCHEMBL7317841

CCOC(=O)[C@H](CN)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MMP8 P22894 2/20 0.46
ROCK1 Q13464 1/20 0.44
MYLK4 Q86YV6 1/20 0.44
PIN1 Q13526 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL9902801 0.87 L3MBTL1 (0.51) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL8329550 0.83 L3MBTL1 (0.54) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL21626263 0.83 ALDH1A1 (0.50) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL29029181 0.83 ALDH1A1 (0.50) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL25311343 0.82 LMNA (0.47) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL5491275 0.82 SLC1A3 (0.57) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8329553 0.81 L3MBTL1 (0.51) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL1859515 0.81 SMN1; SMN2 (0.46) L3MBTL1LMNAALDH1A1MMP8PPARG
SCHEMBL7740325 0.81 SLC1A3 (0.50) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL16370074 0.81 LMNA (0.46) L3MBTL1LMNAKMT2ASLC1A3SLC1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389610-A For cardiovascular disorders SCHERING CORPORATION (US) 1995-02-14 US disclosed
EP-0502075-A1 CARBOXYALKYLCARBONYL AMINOACID ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1992-09-09 EP disclosed
WO-1991007386-A1 CARBOXYALKYLCARBONYL AMINOACID ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1991-05-30 WO disclosed