SCHEMBL6164976

SCHEMBL6164976

Cc1cc(/C=C/c2cc(-c3ccc(Cl)cc3)oc2C)ccc1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
APP P05067 1/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6164979 1.00 PPARD (0.49) PPARDNPC1RAB9APPARGPPARA
SCHEMBL5860649 0.82 NPC1 (0.44) PPARDNPC1RAB9APPARGPPARA
SCHEMBL5860645 0.82 NPC1 (0.44) PPARDNPC1RAB9APPARGPPARA
SCHEMBL6165613 0.77 PPARD (0.52) PPARDNPC1RAB9APPARGPPARA
SCHEMBL5861723 0.77 PPARD (0.66) PPARDPPARGPPARA
SCHEMBL5862788 0.76 PPARD (0.54) PPARDPPARGPPARA
Metaxon SCHEMBL117877 0.72 TDP1 (0.70) PPARDNPC1PPARGTDP1TSHR
SCHEMBL5508897 0.71 PPARD (0.63) PPARDPPARGPPARA
SCHEMBL5508894 0.71 PPARD (0.63) PPARDPPARGPPARA
Metaxon SCHEMBL3533162 0.71 TDP1 (0.68) PPARDNPC1PPARGTDP1TSHR

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-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 WO disclosed