SCHEMBL5505765

SCHEMBL5505765

COc1ccc(-c2c(Oc3ccc(C(F)(F)F)cc3)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
PPARD Q03181 10/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.37
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL5507776 0.91 RXRA (0.42) PPARDRXRARXRBRXRGTHRB
SCHEMBL5504469 0.90 PPARD (0.41) PTGDR2PPARDTHRBSCN8ASCN10A
SCHEMBL5502236 0.90 FFAR1 (0.38) PTGDR2PPARDTHRBFFAR1
SCHEMBL5505980 0.85 PTGS2 (0.43)
SCHEMBL5517204 0.81 TOP1 (0.34) PTGDR2PPARDRXRARXRBRXRG
SCHEMBL5267628 0.81 PPARD (0.39) PPARDRXRARXRBRXRGMAPT
SCHEMBL5502096 0.80 BRD4 (0.39) PPARDRAB9A
SCHEMBL5502760 0.78 MAP2 (0.39) PTGDR2MAPTKDM4EFFAR1
Water SCHEMBL5270309 0.77 FFAR4 (0.34) PTGDR2PPARDFFAR1
SCHEMBL5502589 0.77 EGLN1 (0.39) PPARDMAPTTHRBFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed