SCHEMBL3676129

SCHEMBL3676129

CC(C)COC(=O)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ROCK1 Q13464 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9201865 0.89 SRD5A2 (0.55) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL7166968 0.88 SRD5A2 (0.54) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5483649 0.82 SRD5A2 (0.57) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL1179548 0.82 SRD5A2 (0.53) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL30453001 0.80 SRD5A2 (0.56) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL7171723 0.80 TUBB1 (0.50) SRD5A2MEN1KMT2AL3MBTL1
SCHEMBL8362532 0.80 SRD5A2 (0.55) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5108340 0.79 SRD5A2 (0.55) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2002039 0.77 SRD5A2 (0.55) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2002036 0.77 SRD5A2 (0.55) SRD5A2MEN1NPC1RAB9AKMT2A

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-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed