SCHEMBL4595044

SCHEMBL4595044

CC(C)(C)C(C[C@H](O)c1ccccc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
CERT1 Q9Y5P4 3/20 0.43
LMNA P02545 3/20 0.43
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.41
LTA4H P09960 1/20 0.41
ANPEP P15144 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4389472 1.00 RIPK1 (0.45) RIPK1CERT1LMNABCAT2KDM4E
SCHEMBL4596291 1.00 RIPK1 (0.45) RIPK1CERT1LMNABCAT2KDM4E
SCHEMBL2532623 0.88 TDP1 (0.44) LMNAKDM4ESMN1; SMN2MMEACE
SCHEMBL4595990 0.86 AOC3 (0.43) LMNAAOC3
SCHEMBL6050528 0.86 RIPK1 (0.51) RIPK1LMNABCAT2KDM4EL3MBTL1
SCHEMBL1529541 0.86 RIPK1 (0.51) RIPK1LMNABCAT2KDM4EL3MBTL1
SCHEMBL6050415 0.86 RIPK1 (0.51) RIPK1LMNABCAT2KDM4EL3MBTL1
SCHEMBL4595463 0.84 ADRB3 (0.44)
SCHEMBL1529741 0.83 GRM2 (0.41) RIPK1LMNALTA4HANPEP
SCHEMBL4596066 0.82 L3MBTL1 (0.53) L3MBTL1AOC3

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-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed