SCHEMBL5047584

SCHEMBL5047584

CCCCCCCCCCCCOc1ccc(CC([NH])c2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
SLC2A1 P11166 2/20 0.41
PPARD Q03181 3/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.34
ESR1 P03372 2/20 0.34
FABP4 P15090 3/20 0.34
FABP5 Q01469 3/20 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
SCHEMBL5044758 0.83 MEN1 (0.42) MEN1HTTKMT2APPARGPPARA
SCHEMBL6719458 0.80 PPARG (0.47) PPARGPPARASLC2A1PPARDCNR1
SCHEMBL1855967 0.79 SLC2A1 (0.43) MEN1HTTKMT2APPARGPPARA
SCHEMBL5048879 0.78 CYSLTR2 (0.35) CYP2C9
SCHEMBL1853877 0.77 SLC2A1 (0.55) MEN1HTTKMT2APPARGPPARA
SCHEMBL1856178 0.75 MEN1 (0.41) MEN1HTTKMT2APPARGPPARA
SCHEMBL1856177 0.75 SLC2A1 (0.40) MEN1HTTKMT2APPARGPPARA
SCHEMBL5044011 0.75 NR5A1 (0.42) PPARGSLC2A1
SCHEMBL1856734 0.74 PPARG (0.41) MEN1HTTKMT2APPARGPPARA
SCHEMBL23271675 0.72 CNR1 (0.61) MEN1HTTKMT2ASLC2A1CNR1

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed