SCHEMBL5049019

SCHEMBL5049019

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CC(NC(=O)C(=O)O)c3ccc(C(F)(F)F)cc3)c(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.45
PPARG P37231 9/20 0.45
EPHX2 P34913 2/20 0.45
PLK1 P53350 1/20 0.42
PPARD Q03181 6/20 0.41
LSS P48449 1/20 0.40
RORC P51449 1/20 0.40
AKR1C3 P42330 1/20 0.39
MTTP P55157 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL6022101 0.85 PPARG (0.46) PPARAPPARGEPHX2PLK1PPARD
SCHEMBL5045752 0.85 EPHX2 (0.42) PPARAPPARGEPHX2PPARDAKR1C3
SCHEMBL5047489 0.82 PPARG (0.42) PPARAPPARGEPHX2RORCTRPV1
SCHEMBL6022102 0.81 LSS (0.47) PPARAPPARGEPHX2PLK1PPARD
SCHEMBL5048687 0.81 EPHX2 (0.48) PPARAPPARGEPHX2PPARDAKR1C3
SCHEMBL4978882 0.80 PLK1 (0.47) PPARAPLK1
SCHEMBL4317777 0.79 LSS (0.49) PPARAPPARGEPHX2PLK1PPARD
SCHEMBL1852984 0.77 MLYCD (0.51) PPARAPPARGEPHX2PLK1PPARD
SCHEMBL5047681 0.76 DDR1 (0.43) PPARAPPARGEPHX2PPARDTRPV1
SCHEMBL4966603 0.76 PLK1 (0.43) PLK1

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