SCHEMBL168556

SCHEMBL168556

CCOC(=O)Cc1cccc(SCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.50
PPARA Q07869 6/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
F10 P00742 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 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
SCHEMBL19346178 0.88 PPARG (0.48) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL6583440 0.88 PPARG (0.46) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL670353 0.87 PPARG (0.47) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL16963899 0.86 LMNA (0.49) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL8060935 0.86 SLC7A5 (0.50) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL68412 0.84 L3MBTL1 (0.50) PPARGPPARANPC1RAB9AL3MBTL1
SCHEMBL6650515 0.81 AKR1B1 (0.48) PPARGPPARANFKB1PTGS2ALDH1A1
SCHEMBL15956080 0.81 NPC1 (0.57) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL406058 0.80 MAOB (0.58) SMN1; SMN2MAOBALDH1A1MAPK1EPHX2
SCHEMBL27544720 0.79 F10 (0.43) PPARGPPARANPC1RAB9AL3MBTL1

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed