SCHEMBL4055198

SCHEMBL4055198

CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.59
PPARA Q07869 8/20 0.59
PPARD Q03181 7/20 0.59
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
HTR1A P08908 5/20 0.43
HTR1D P28221 5/20 0.43
HTR1B P28222 5/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR2A P28223 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4056810 0.93 PPARG (0.59) PPARGPPARAPPARDTSHR
SCHEMBL4054495 0.87 TSHR (0.60) PPARGPPARAPPARDKDM4ETSHR
SCHEMBL4059391 0.84 PPARG (0.58) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL4063133 0.79 TSHR (0.51) PPARGPPARAPPARDKDM4ETSHR
SCHEMBL12721122 0.79 KDM4E (0.71) PPARGPPARAPPARDKDM4ETSHR
SCHEMBL6934325 0.78 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL1383393 0.78 PPARD (0.60) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL2429146 0.77 KDM4E (0.68) PPARGPPARAPPARDKDM4ETSHR
SCHEMBL15747702 0.77 KDM4E (0.71) PPARGPPARAPPARDKDM4ETSHR
SCHEMBL23701772 0.76 HTR1B (0.67) PPARGPPARAPPARDKDM4ETSHR

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