SCHEMBL5048757

SCHEMBL5048757

CCCCCc1ccc(CNC(=O)c2ccc(CC(NC(=O)C(=O)O)c3ccccc3OC(F)(F)F)c(Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 2/20 0.39
PPARA Q07869 4/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PPARD Q03181 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL5047489 0.92 PPARG (0.42) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL5044633 0.88 PPARG (0.45) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL5047681 0.86 DDR1 (0.43) PPARGALDH1A1LMNAEPHX2PPARA
SCHEMBL5048687 0.86 EPHX2 (0.48) PPARGALDH1A1EPHX2PPARAHPGD
SCHEMBL5044635 0.81 PPARG (0.50) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL1860786 0.81 PPARG (0.46) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL5045752 0.79 EPHX2 (0.42) PPARGALDH1A1EPHX2PPARAHPGD
SCHEMBL5039754 0.77 PPARG (0.47) PPARGEPHX2L3MBTL1PPARAHDAC3
SCHEMBL6023237 0.76 EPHX2 (0.49) PPARGALDH1A1EPHX2PPARAHPGD
SCHEMBL5044609 0.75 EPHX2 (0.52) PPARGALDH1A1EPHX2PPARAHPGD

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