SCHEMBL5049271

SCHEMBL5049271

CCCCCc1ccc(CNC(=O)c2ccc(-c3ccc(CC([N][O])c4cccc(C(F)(F)F)c4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
PLK1 P53350 1/20 0.45
MLYCD O95822 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MTTP P55157 3/20 0.43
ACP3 P15309 1/20 0.42
KIFC1 Q9BW19 2/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.41
LSS P48449 1/20 0.41

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
SCHEMBL5046020 0.90 PPARG (0.53) EPHX2PPARGPPARAPLK1TRPV1
SCHEMBL5040079 0.84 PPARG (0.51) EPHX2PPARGPPARATRPV1HDAC1
SCHEMBL1858311 0.77 MLYCD (0.50) PLK1MLYCDTRPV1MAPK14MEN1
SCHEMBL5043927 0.76 MLYCD (0.49) PLK1MLYCDTRPV1MAPK14MEN1
SCHEMBL4197091 0.72 TRPV1 (0.66) EPHX2PLK1TRPV1HDAC1MEN1
SCHEMBL4321965 0.72 LSS (0.57) EPHX2PPARGPPARAPLK1TRPV1
SCHEMBL5047208 0.72 AKR1C3 (0.47) EPHX2PPARGPPARAPLK1TRPV1
SCHEMBL1851264 0.71 LSS (0.48) EPHX2PPARGPPARAPLK1TRPV1
SCHEMBL6022076 0.70 TRPV1 (0.59) EPHX2PLK1TRPV1HDAC1MEN1
SCHEMBL1856434 0.70 MLYCD (0.50) EPHX2PPARGPPARAMLYCDHDAC1

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