SCHEMBL6022101

SCHEMBL6022101

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CC([NH])c3ccc(C(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARA Q07869 7/20 0.46
EPHX2 P34913 2/20 0.46
PLK1 P53350 1/20 0.43
LSS P48449 1/20 0.43
PPARD Q03181 4/20 0.42
RORC P51449 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL5044895 0.89 EPHX2 (0.48) PPARGPPARAEPHX2PPARDTRPV1
SCHEMBL5049019 0.85 PPARA (0.45) PPARGPPARAEPHX2PLK1LSS
SCHEMBL6022102 0.85 LSS (0.47) PPARGPPARAEPHX2PLK1LSS
SCHEMBL6023307 0.83 HTR2C (0.44) PPARGPPARAEPHX2TRPV1MAPK14
SCHEMBL4317777 0.79 LSS (0.49) PPARGPPARAEPHX2PLK1LSS
SCHEMBL6023237 0.78 EPHX2 (0.49) PPARGPPARAEPHX2PPARDTRPV1
SCHEMBL5048870 0.75 MLYCD (0.52) PPARGPPARAPPARDHDAC1
SCHEMBL5044913 0.74 HTR2A (0.43) PLK1TRPV1HDAC1MAPK14
SCHEMBL5046020 0.74 PPARG (0.53) PPARGPPARAEPHX2PLK1LSS
SCHEMBL5039489 0.74 MLYCD (0.50) PPARGPPARAEPHX2LSSPPARD

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-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed