SCHEMBL5505100

SCHEMBL5505100

O=C(O)Cc1[nH]c2ccc(Oc3cccc(Cl)c3)c(-c3ccc(OC(F)(F)F)cc3)c2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTGES O14684 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
RHEB Q15382 3/20 0.38
BRAF P15056 2/20 0.38
DHODH Q02127 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
GRIN2B Q13224 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL5507450 0.90 PTGDR2 (0.40) THRATHRBPTGDR2RHEBDHODH
SCHEMBL5506365 0.89 LGALS8 (0.41) THRATHRBPTGDR2RHEBDHODH
SCHEMBL5504469 0.84 PPARD (0.41) THRBPTGDR2TRPV1EGLN1PPARD
SCHEMBL5501795 0.83 IDO1 (0.36) PTGDR2RHEBPPARGPPARD
SCHEMBL5502760 0.80 MAP2 (0.39) PTGDR2RHEBFFAR1
SCHEMBL5502589 0.79 EGLN1 (0.39) THRBRHEBFFAR4EGLN1PPARG
SCHEMBL5501032 0.79 THRA (0.40) THRATHRBFFAR4PPARGPPARD
SCHEMBL5519196 0.77 CSF1R (0.38) PTGDR2FFAR4FFAR1
SCHEMBL5507776 0.76 RXRA (0.42) THRBPPARGPPARDFFAR1
SCHEMBL5505765 0.75 PTGDR2 (0.44) THRBPTGDR2PPARDFFAR1

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