SCHEMBL4053587

SCHEMBL4053587

O=C(O)Cc1c[nH]c2cccc(OCCCN3c4ccccc4Oc4ccccc43)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
DNMT1 P26358 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4064158 0.80 PPARG (0.44) PPARGKDM4EMEN1ALDH1A1MAPT
SCHEMBL4063828 0.80 PPARG (0.53) PPARGKDM4EMEN1ALDH1A1MAPT
SCHEMBL4053397 0.79 MCL1 (0.50) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL7360256 0.74 HTR2A (0.62) PPARGKDM4EMEN1ALDH1A1POLB
SCHEMBL4063165 0.73 GAA (0.48) PPARGKDM4EMEN1ALDH1A1POLB
SCHEMBL6770793 0.71 KDM4E (0.64) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL5009209 0.71 PPARG (0.54) PPARGMCL1
SCHEMBL31461255 0.70 MAPT (0.51) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4064985 0.70 PPARA (0.51) PPARGKDM4EMEN1ALDH1A1POLB
SCHEMBL24043692 0.69 KMT2A (0.58) KDM4EMEN1ALDH1A1POLBGAA

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