SCHEMBL5039754

SCHEMBL5039754

CCCCCCCCCCCCNC(=O)c1ccc(-c2ccc(CC(NC(=O)C(=O)O)c3ccccc3OC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
NAAA Q02083 1/20 0.45
MLYCD O95822 2/20 0.44
EPHX2 P34913 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
HDAC3 O15379 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PPARA Q07869 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL5046108 0.85 PPARG (0.48) PPARGNAAAMLYCDEPHX2DRD2
SCHEMBL5039508 0.84 ROCK2 (0.44) PPARGNAAAMLYCDEPHX2DRD2
SCHEMBL1852984 0.77 MLYCD (0.51) PPARGNAAAMLYCDEPHX2L3MBTL1
SCHEMBL5048757 0.77 PPARG (0.44) PPARGEPHX2HDAC3L3MBTL1PPARA
SCHEMBL5047489 0.77 PPARG (0.42) PPARGEPHX2HDAC3L3MBTL1PPARA
SCHEMBL5047162 0.76 HDAC1 (0.44) PPARGNAAAMLYCDEPHX2DRD2
SCHEMBL5039660 0.76 HDAC1 (0.44) PPARGNAAAMLYCDEPHX2DRD2
SCHEMBL1853396 0.76 MLYCD (0.47) PPARGNAAAMLYCDEPHX2L3MBTL1
SCHEMBL1852751 0.75 PPARG (0.47) PPARGNAAAMLYCDEPHX2DRD2
SCHEMBL1854711 0.72 NAAA (0.48) PPARGNAAAMLYCDEPHX2HDAC3

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