SCHEMBL5501032

SCHEMBL5501032

CC(C)Oc1ccc(-c2c(Oc3cccc(C(F)(F)F)c3)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
PTPN5 P54829 1/20 0.36
PPARD Q03181 4/20 0.36
CHEK2 O96017 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34
EPAS1 Q99814 1/20 0.34

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
SCHEMBL5502096 0.84 BRD4 (0.39) PPARD
SCHEMBL5507821 0.82 ACACB (0.39) FFAR4GAAKMT2A
SCHEMBL5502236 0.82 FFAR1 (0.38) THRBPPARDPPARGPPARA
SCHEMBL5267628 0.82 PPARD (0.39) RXRARXRBRXRGPPARDPPARA
SCHEMBL5505765 0.81 PTGDR2 (0.44) THRBRXRARXRBRXRGPPARD
SCHEMBL5507776 0.80 RXRA (0.42) THRBRXRARXRBRXRGPPARD
SCHEMBL5266845 0.79 FFAR4 (0.34) RXRARXRBRXRGFFAR4PTPN5
SCHEMBL5504469 0.79 PPARD (0.41) THRBPPARDPPARA
SCHEMBL5505100 0.79 THRA (0.41) THRATHRBFFAR4PPARDPPARG
Water SCHEMBL5270309 0.79 FFAR4 (0.34) FFAR4PTPN5PPARD

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