SCHEMBL5044635

SCHEMBL5044635

CCCCCc1ccc(CNC(=O)c2ccc(CNCc3ccccc3OC(F)(F)F)c(Br)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
EPHX2 P34913 4/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
RORC P51449 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5 P09917 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL1860786 0.88 PPARG (0.46) PPARGEPHX2ALDH1A1LMNARORC
SCHEMBL5044609 0.88 EPHX2 (0.52) PPARGEPHX2ALDH1A1TRPV1HPGD
SCHEMBL5044633 0.84 PPARG (0.45) PPARGEPHX2ALDH1A1LMNARORC
SCHEMBL1860265 0.82 PPARG (0.44) PPARGEPHX2ALDH1A1LMNARORC
SCHEMBL5048757 0.81 PPARG (0.44) PPARGEPHX2ALDH1A1LMNARORC
SCHEMBL5044608 0.81 EPHX2 (0.49) PPARGEPHX2ALDH1A1LMNATRPV1
SCHEMBL5040011 0.79 FFAR1 (0.48) ALDH1A1LMNAL3MBTL1TRPV1HPGD
SCHEMBL5044219 0.78 MLYCD (0.48) PPARGEPHX2ALDH1A1L3MBTL1TRPV1
SCHEMBL1853096 0.78 ALDH1A1 (0.46) PPARGEPHX2ALDH1A1TRPV1HPGD
SCHEMBL4330881 0.77 MAPK14 (0.47) PPARGEPHX2ALDH1A1LMNAL3MBTL1

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