SCHEMBL4337377

SCHEMBL4337377

CCCc1onc(COC(C)(C)C)c1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GHSR Q92847 1/20 0.30
GAA P10253 2/20 0.30
PTGS1 P23219 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4336590 0.83 LMNA (0.44) LMNAALDH1A1HTTL3MBTL1MAPK1
SCHEMBL4348580 0.80 LMNA (0.42) LMNAALDH1A1HTTL3MBTL1MAPK1
SCHEMBL18605355 0.76 LMNA (0.43) LMNAALDH1A1HTTL3MBTL1MAPK1
SCHEMBL4336583 0.75 KMT2A (0.41) LMNAALDH1A1HTTL3MBTL1MAPK1
SCHEMBL13283814 0.75 HTT (0.47) LMNAALDH1A1HTTL3MBTL1HSD17B10
SCHEMBL28804378 0.71 ALDH1A1 (0.43) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4345558 0.71 POLB (0.43) LMNAALDH1A1L3MBTL1MAPTGHSR
SCHEMBL4951120 0.71 POLB (0.45) LMNAALDH1A1HTTL3MBTL1MAPK1
SCHEMBL4946160 0.71 POLB (0.45) LMNAALDH1A1HTTL3MBTL1MAPK1
SCHEMBL18605168 0.71 ALDH1A1 (0.42) LMNAALDH1A1HTTL3MBTL1MAPK1

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-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed