SCHEMBL7429166

SCHEMBL7429166

CC(C)CC(C(=O)O)N(CCc1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.39
NR3C1 P04150 1/20 0.37
LPAR1 Q92633 5/20 0.36
LPAR5 Q9H1C0 5/20 0.36
MAOB P27338 1/20 0.36
ACHE P22303 1/20 0.36
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NPY5R Q15761 1/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL7426506 0.92 MMP2 (0.45) MMP2LPAR1LPAR5ACHEFNTA
SCHEMBL7423137 0.87 FFAR1 (0.48) MMP2LPAR1LPAR5ACHENPY5R
SCHEMBL7428192 0.86 CARM1 (0.46) LPAR1LPAR5ACHEALDH1A1PPARA
SCHEMBL22654344 0.81 MCHR1 (0.37) NR3C1
SCHEMBL7425601 0.81 MCHR1 (0.50) MMP2FNTAPGGT1B
SCHEMBL7426467 0.79 GRIA2 (0.43)
SCHEMBL7427033 0.79 GRIA2 (0.43)
SCHEMBL7421295 0.78 PPARG (0.41) PPARAEPHX2
SCHEMBL7417897 0.78 FOLH1 (0.45)
SCHEMBL7427123 0.78 LTB4R (0.44) MAOB

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed