SCHEMBL1407175

SCHEMBL1407175

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(Cl)c(Cl)c3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP14 P54578 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LGALS8 O00214 1/20 0.37
LGALS3 P17931 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KMO O15229 1/20 0.37
RPA1 P27694 1/20 0.37
HIF1A Q16665 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
PLA2G4A P47712 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
DHODH Q02127 1/20 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
SCHEMBL332699 0.92 PPARG (0.38) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL333611 0.91 PPARG (0.47) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL333879 0.90 PPARG (0.41) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL10076916 0.89 PPARG (0.47) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL332700 0.89 MEN1 (0.41) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL333845 0.89 PPARG (0.42) PPARGPPARAUSP14KDM4EHIF1A
SCHEMBL333656 0.88 PPARG (0.43) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL333774 0.87 PPARG (0.46) PPARGPPARAMEN1KMT2APLA2G4A
SCHEMBL332701 0.86 MEN1 (0.38) PPARGPPARAMEN1KMT2AUSP14
SCHEMBL334287 0.85 FFAR1 (0.43) PPARGMEN1KMT2AUSP14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed