SCHEMBL4064985

SCHEMBL4064985

O=C(O)Cc1c[nH]c2cccc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.51
PPARG P37231 8/20 0.51
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
DNMT1 P26358 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARD Q03181 5/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 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
SCHEMBL4055592 0.86 PPARA (0.54) PPARAPPARGMAPTL3MBTL1MEN1
SCHEMBL4059391 0.85 PPARG (0.58) PPARAPPARGMAPTL3MBTL1MEN1
SCHEMBL4063133 0.81 TSHR (0.51) PPARAPPARGKDM4EALDH1A1PPARD
SCHEMBL4054495 0.81 TSHR (0.60) PPARAPPARGKDM4EALDH1A1PPARD
SCHEMBL4062336 0.76 MAPT (0.44) PPARAPPARGMAPTL3MBTL1MEN1
SCHEMBL5176537 0.74 KDM4E (0.42) PPARAPPARGMAPTL3MBTL1MEN1
SCHEMBL4056810 0.74 PPARG (0.59) PPARAPPARGPPARDTSHR
SCHEMBL4055198 0.74 PPARG (0.59) PPARAPPARGMAPTKDM4ETDP1
SCHEMBL14366327 0.74 GAA (0.63) PPARAPPARGMAPTL3MBTL1GAA
SCHEMBL7566062 0.73 PPARA (0.69) PPARAPPARGGAAKDM4EALDH1A1

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