SCHEMBL4761971

SCHEMBL4761971

CCCCOC(=O)N(c1ccc2ccccc2c1)[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
PPARA Q07869 5/20 0.45
CETP P11597 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP26A1 O43174 1/20 0.38
MAPK1 P28482 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL8905955 1.00 PPARG (0.45) PPARGPPARACETPL3MBTL1TSHR
SCHEMBL2496403 0.83 PPARG (0.42) PPARGPPARATDP1PPARDALDH1A1
SCHEMBL995191 0.78 MEN1 (0.43) PPARGPPARATDP1ALDH1A1KDM4E
SCHEMBL1325516 0.78 MEN1 (0.43) PPARGPPARATDP1ALDH1A1KDM4E
SCHEMBL1325515 0.78 MEN1 (0.43) PPARGPPARATDP1ALDH1A1KDM4E
SCHEMBL29201750 0.77 FABP5 (0.39) PPARGPPARA
SCHEMBL599683 0.77 FABP5 (0.39) PPARGPPARA
SCHEMBL29474439 0.77 FABP5 (0.39) PPARGPPARA
SCHEMBL29763559 0.77 FABP5 (0.39) PPARGPPARA
SCHEMBL7776950 0.76 MEN1 (0.43) PPARGPPARATDP1ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
EP-0805816-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-11-12 EP disclosed