SCHEMBL13330723

SCHEMBL13330723

CCCCOc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(Cc3ccc(F)cc3)(C(=O)O)CC1)O2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.34
PPARA Q07869 11/20 0.34
PPARD Q03181 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
MGLL Q99685 1/20 0.32
P4HB P07237 1/20 0.32

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
SCHEMBL13334938 0.93 L3MBTL1 (0.42) L3MBTL1ALDH1A1
SCHEMBL13334552 0.89 MC4R (0.34) PPARGPPARAPPARDALDH1A1GPR119
SCHEMBL3356445 0.85 L3MBTL1 (0.44) L3MBTL1ALDH1A1
SCHEMBL3355480 0.84 ALDH1A1 (0.45) L3MBTL1ALDH1A1
SCHEMBL3358660 0.83 MC4R (0.35) ALDH1A1GPR119MGLL
SCHEMBL3353490 0.82 MC4R (0.34) ALDH1A1GPR119MGLL
SCHEMBL3359583 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1
SCHEMBL3356313 0.81 MEN1 (0.36) L3MBTL1ALDH1A1
SCHEMBL3353800 0.81 ALDH1A1 (0.37) ALDH1A1GPR119MGLL
SCHEMBL13308228 0.80 MC4R (0.34) ALDH1A1MGLL

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-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed