SCHEMBL4059391

SCHEMBL4059391

CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1cccc2[nH]cc(CC(=O)O)c12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.58
PPARA Q07869 11/20 0.58
PPARD Q03181 6/20 0.58
LTB4R Q15722 4/20 0.49
LTB4R2 Q9NPC1 2/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
DNMT1 P26358 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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 0.85 PPARA (0.51) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL4056810 0.84 PPARG (0.59) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL4055198 0.84 PPARG (0.59) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL4055592 0.78 PPARA (0.54) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL6934325 0.78 PPARG (0.59) PPARGPPARAPPARDLTB4R
SCHEMBL24648603 0.75 PPARG (0.59) PPARGPPARAPPARDLTB4R
SCHEMBL30021104 0.75 PPARG (0.59) PPARGPPARAPPARDLTB4R
SCHEMBL4055456 0.75 PPARG (0.42) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL4062336 0.74 MAPT (0.44) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL24648593 0.74 PPARG (0.57) PPARGPPARAPPARDLTB4R

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