SCHEMBL5046020

SCHEMBL5046020

CCCCCc1ccc(CNC(=O)c2ccc(-c3ccc(CC([N][O])c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
PPARA Q07869 4/20 0.53
EPHX2 P34913 2/20 0.53
LSS P48449 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
KDM1A O60341 2/20 0.45
HDAC1 Q13547 2/20 0.45
MTTP P55157 3/20 0.44
PLK1 P53350 1/20 0.44
PPARD Q03181 3/20 0.43
MAPK14 Q16539 1/20 0.43
RARB P10826 1/20 0.42

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
SCHEMBL5049271 0.90 EPHX2 (0.46) PPARGPPARAEPHX2LSSTRPV1
SCHEMBL1856434 0.79 MLYCD (0.50) PPARGPPARAEPHX2HDAC1PPARD
SCHEMBL5040079 0.79 PPARG (0.51) PPARGPPARAEPHX2TRPV1HDAC1
SCHEMBL4321965 0.78 LSS (0.57) PPARGPPARAEPHX2LSSTRPV1
SCHEMBL5047553 0.76 TAAR1 (0.39) PPARGPPARAEPHX2
SCHEMBL6022101 0.74 PPARG (0.46) PPARGPPARAEPHX2LSSTRPV1
SCHEMBL5047430 0.74 HDAC8 (0.53) HDAC1
SCHEMBL4197091 0.73 TRPV1 (0.66) EPHX2TRPV1HDAC1PLK1RARB
SCHEMBL6022076 0.73 TRPV1 (0.59) EPHX2TRPV1HDAC1PLK1RARB
SCHEMBL5048860 0.73 MLYCD (0.53) PPARGPPARAEPHX2HDAC1PPARD

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