SCHEMBL4055456

SCHEMBL4055456

CCCc1cc2cc(-c3ccccc3)oc2cc1OCCCOc1cccc2[nH]cc(CC(=O)O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
HTR6 P50406 1/20 0.41
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
PPARA Q07869 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
DNMT1 P26358 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4054417 0.85 PPARG (0.59) PPARGPPARDLTB4RLTB4R2PPARA
SCHEMBL6559176 0.76 PPARG (0.49) PPARGPPARDLTB4RLTB4R2PPARA
SCHEMBL4059391 0.75 PPARG (0.58) PPARGPPARDLTB4RLTB4R2PPARA
SCHEMBL5008859 0.75 PPARG (0.72) PPARGPPARDPPARAMCL1
SCHEMBL6616076 0.74 KDM4E (0.51) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL4063178 0.73 PPARG (0.75) PPARGPPARDPPARA
SCHEMBL4235423 0.71 PPARG (0.59) PPARGPPARDPPARAMCL1
SCHEMBL6559384 0.69 PPARG (0.36) PPARGPPARDLTB4RLTB4R2PPARA
SCHEMBL14961154 0.69 HTR2A (0.54) HTR6
SCHEMBL16302212 0.69 GAA (0.64) HTR6KDM4EMEN1ALDH1A1POLB

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