SCHEMBL5044633

SCHEMBL5044633

CCCCCc1ccc(CNC(=O)c2ccc(CC([NH])c3ccccc3OC(F)(F)F)c(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 2/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
PPARA Q07869 2/20 0.40
HTR2C P28335 1/20 0.39
GAA P10253 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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 0.88 PPARG (0.44) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL6023237 0.85 EPHX2 (0.49) PPARGALDH1A1EPHX2HPGDKDM4E
SCHEMBL5044635 0.84 PPARG (0.50) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL5047489 0.81 PPARG (0.42) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL1860786 0.80 PPARG (0.46) PPARGALDH1A1LMNAEPHX2L3MBTL1
SCHEMBL5044609 0.78 EPHX2 (0.52) PPARGALDH1A1EPHX2HPGDKDM4E
SCHEMBL5044608 0.77 EPHX2 (0.49) PPARGALDH1A1LMNAEPHX2HPGD
SCHEMBL5044895 0.77 EPHX2 (0.48) PPARGALDH1A1EPHX2HPGDKDM4E
SCHEMBL5047681 0.77 DDR1 (0.43) PPARGALDH1A1LMNAEPHX2HPGD
SCHEMBL6023307 0.76 HTR2C (0.44) PPARGALDH1A1EPHX2HPGDKDM4E

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