SCHEMBL5507776

SCHEMBL5507776

O=C(O)Cc1ccc(-c2c(Oc3ccc(C(F)(F)F)cc3)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.42
RXRB P28702 7/20 0.42
RXRG P48443 7/20 0.42
THRB P10828 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PPARD Q03181 3/20 0.40
FFAR1 O14842 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
GCK P35557 1/20 0.38
NR3C1 P04150 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL5505765 0.91 PTGDR2 (0.44) RXRARXRBRXRGTHRBPPARD
SCHEMBL5504469 0.91 PPARD (0.41) THRBPPARDFFAR1PPARA
SCHEMBL5502236 0.89 FFAR1 (0.38) THRBPPARDFFAR1PPARGPPARA
SCHEMBL5517204 0.80 TOP1 (0.34) RXRARXRBRXRGPPARDSMN1; SMN2
SCHEMBL5501032 0.80 THRA (0.40) RXRARXRBRXRGTHRBPPARD
SCHEMBL5267628 0.80 PPARD (0.39) RXRARXRBRXRGPPARDFFAR1
SCHEMBL5502096 0.79 BRD4 (0.39) PPARD
SCHEMBL5502760 0.79 MAP2 (0.39) FFAR1PPARA
SCHEMBL5502589 0.78 EGLN1 (0.39) THRBPPARDFFAR1PPARGPPARA
SCHEMBL5506365 0.77 LGALS8 (0.41) THRBPPARDFFAR1

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