SCHEMBL4054417

SCHEMBL4054417

CCCc1c(OCCCOc2cccc3[nH]cc(CC(=O)O)c23)ccc2cc(-c3ccccc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.59
PPARD Q03181 16/20 0.59
PPARA Q07869 14/20 0.49
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
DNMT1 P26358 1/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4055456 0.85 PPARG (0.42) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL4063178 0.81 PPARG (0.75) PPARGPPARDPPARA
SCHEMBL4055211 0.77 NR1H3 (0.65) PPARGPPARDPPARA
SCHEMBL4065858 0.76 NR1H3 (0.66) PPARGPPARDPPARA
SCHEMBL4063594 0.75 NR1H3 (0.65) PPARGPPARDPPARA
SCHEMBL4064059 0.75 NR1H3 (0.62) PPARGPPARDPPARA
SCHEMBL5009391 0.74 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL6616076 0.72 KDM4E (0.51) PPARGPPARDPPARAKDM4E
SCHEMBL4059391 0.72 PPARG (0.58) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL4063625 0.71 PPARG (0.63) PPARGPPARDPPARA

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