SCHEMBL5502589

SCHEMBL5502589

O=C(O)Cc1[nH]c2ccc(Oc3ccc(Cl)c(Cl)c3)c(-c3ccc(OCC(F)(F)F)cc3)c2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 4/20 0.35
THRB P10828 1/20 0.34
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 1/20 0.33
RHEB Q15382 1/20 0.33
FFAR1 O14842 3/20 0.33
PPARD Q03181 3/20 0.33
FFAR4 Q5NUL3 2/20 0.33
CHEK2 O96017 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN5A Q14524 1/20 0.32
PPARG P37231 2/20 0.32

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
SCHEMBL5506365 0.89 LGALS8 (0.41) EGLN1THRBRHEBFFAR1PPARD
SCHEMBL5517204 0.84 TOP1 (0.34) PPARDSMN1; SMN2CYP2C9
SCHEMBL5505100 0.79 THRA (0.41) EGLN1THRBRHEBFFAR1PPARD
SCHEMBL5507776 0.78 RXRA (0.42) PPARATHRBFFAR1PPARDSMN1; SMN2
SCHEMBL5504469 0.77 PPARD (0.41) EGLN1PPARATHRBSLC6A4FFAR1
SCHEMBL5502236 0.77 FFAR1 (0.38) PPARATHRBFFAR1PPARDPPARG
SCHEMBL5502760 0.76 MAP2 (0.39) MAPTPPARARHEBFFAR1CYP2C9
SCHEMBL5502096 0.71 BRD4 (0.39) PPARD
SCHEMBL5505980 0.70 PTGS2 (0.43)
SCHEMBL332700 0.67 MEN1 (0.41) MEN1MAPTHTTKMT2ANPSR1

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