SCHEMBL4336583

SCHEMBL4336583

CCCc1onc(COc2c(C)cccc2C)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.35
GHSR Q92847 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2002126 0.81 NR1H4 (0.44) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL4339510 0.78 ALDH1A1 (0.36) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL4336590 0.77 LMNA (0.44) MAPTL3MBTL1GAAMAPK1SMN1; SMN2
SCHEMBL4946160 0.75 POLB (0.45) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL4951120 0.75 POLB (0.45) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL4337377 0.75 LMNA (0.39) MAPTL3MBTL1GAAMAPK1SMN1; SMN2
SCHEMBL4348580 0.74 LMNA (0.42) MAPTL3MBTL1GAAMAPK1SMN1; SMN2
SCHEMBL4345558 0.73 POLB (0.43) KMT2AMEN1MAPTL3MBTL1GAA
SCHEMBL4339344 0.72 NR1H4 (0.45) KMT2AMEN1
SCHEMBL13283814 0.72 HTT (0.47) KMT2AMEN1MAPTL3MBTL1GAA

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