SCHEMBL4055592

SCHEMBL4055592

O=C(O)Cc1c[nH]c2cccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
PPARG P37231 12/20 0.54
PPARD Q03181 10/20 0.49
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 3/20 0.44
MCL1 Q07820 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
DNMT1 P26358 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL4064985 0.86 PPARA (0.51) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL4062336 0.79 MAPT (0.44) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL4059391 0.78 PPARG (0.58) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL24043692 0.72 KMT2A (0.58) L3MBTL1MAPTMCL1GAAKDM4E
SCHEMBL7360256 0.72 HTR2A (0.62) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL4063133 0.72 TSHR (0.51) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4054495 0.72 TSHR (0.60) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4053397 0.71 MCL1 (0.50) L3MBTL1MAPTMCL1GAAKDM4E
SCHEMBL5009358 0.70 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL4053587 0.69 PPARG (0.47) PPARGL3MBTL1MAPTMCL1GAA

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-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed