SCHEMBL5047489

SCHEMBL5047489

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CC(NC(=O)C(=O)O)c3ccccc3OC(F)(F)F)c(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
RORC P51449 2/20 0.41
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 3/20 0.39
PPARA Q07869 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5048757 0.92 PPARG (0.44) PPARGALDH1A1LMNARORCHPGD
SCHEMBL5045752 0.87 EPHX2 (0.42) PPARGALDH1A1HPGDEPHX2PPARA
SCHEMBL5049019 0.82 PPARA (0.45) PPARGRORCEPHX2PPARATRPV1
SCHEMBL5044633 0.81 PPARG (0.45) PPARGALDH1A1LMNARORCHPGD
SCHEMBL1860265 0.79 PPARG (0.44) PPARGALDH1A1LMNARORCHPGD
SCHEMBL5047681 0.79 DDR1 (0.43) PPARGALDH1A1LMNAHPGDEPHX2
SCHEMBL5048687 0.78 EPHX2 (0.48) PPARGALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL5039754 0.77 PPARG (0.47) PPARGEPHX2PPARAL3MBTL1HDAC3
SCHEMBL5044635 0.76 PPARG (0.50) PPARGALDH1A1LMNARORCHPGD
SCHEMBL1860786 0.76 PPARG (0.46) PPARGALDH1A1LMNARORCHPGD

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 disclosed