SCHEMBL9188592

SCHEMBL9188592

CC(C)COC(=O)Nc1cccc(Cn2ccc3cc(C(=O)O)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLAU P00749 2/20 0.44
PLG P00747 1/20 0.44
NR1H4 Q96RI1 4/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
MAPK1 P28482 1/20 0.42
EPHX2 P34913 3/20 0.42
ALOX5 P09917 1/20 0.42
NTSR1 P30989 1/20 0.42

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
SCHEMBL9183329 0.86 PPARG (0.44) PPARGLMNATSHRHTTALOX15
SCHEMBL9188431 0.83 PPARG (0.42) PPARGNR1H4HDAC8HDAC6HDAC11
SCHEMBL9182479 0.82 PPARG (0.43) PPARGLMNATSHRHTTHDAC8
SCHEMBL9187696 0.76 PPARG (0.42) PPARGNR1H4HDAC8HDAC6HDAC11
SCHEMBL30185512 0.76 PLAU (0.56) PPARGPLAUPLGNR1H4HDAC8
SCHEMBL28580033 0.76 PLAU (0.56) PPARGPLAUPLGNR1H4HDAC8
SCHEMBL9186891 0.75 PPARG (0.45) PPARGEPHX2
SCHEMBL15971036 0.75 PLAU (0.57) PPARGPLAUPLGHDAC8HDAC6
SCHEMBL30888879 0.75 PLAU (0.57) PPARGPLAUPLGHDAC8HDAC6
SCHEMBL9189437 0.75 PLA2G4A (0.40) PPARGNR1H4HDAC8HDAC6HDAC11

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
EP-0476935-B1 New indol and indoline derivatives LILLY INDUSTRIES LTD (GB) 1995-07-26 EP disclosed
US-5185361-A Indole sulfonamides; Leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-02-09 US disclosed
EP-0476935-A1 New indol and indoline derivatives LILLY INDUSTRIES LIMITED (GB) 1992-03-25 EP disclosed