SCHEMBL5048720

SCHEMBL5048720

CCCCCc1ccc(CNC(=O)c2ccc(-c3ccc(CC(NC(=O)C(=O)O)c4cccc(Oc5ccccc5)c4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
EPHX2 P34913 1/20 0.50
MAPK14 Q16539 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 2/20 0.44
HPGD P15428 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 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
SCHEMBL5040079 0.86 PPARG (0.51) PPARGPPARAEPHX2MAPK14NPC1
SCHEMBL5046973 0.80 UTS2R (0.47) PPARGPPARAEPHX2RAB9AAKR1C3
SCHEMBL1851475 0.79 MAPK14 (0.48) PPARGPPARAEPHX2MAPK14NPC1
SCHEMBL5039508 0.78 ROCK2 (0.44) PPARGPPARAEPHX2MAPK14ROCK2
SCHEMBL5047681 0.78 DDR1 (0.43) PPARGPPARAEPHX2MAPK14ROCK2
SCHEMBL5045752 0.77 EPHX2 (0.42) PPARGPPARAEPHX2MAPK14ROCK2
SCHEMBL6022081 0.76 MEN1 (0.43) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL5044952 0.76 MEN1 (0.43) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL4197091 0.75 TRPV1 (0.66) EPHX2NPC1RAB9AROCK2TRPV1
SCHEMBL5047048 0.75 EPHX2 (0.41) PPARGPPARAEPHX2ROCK2TRPV1

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 3 patents. 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 disclosed
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