SCHEMBL7423853

SCHEMBL7423853

CC(C)CC(C(=O)O)N(CCc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 7/20 0.35
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
NR4A2 P43354 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
SCHEMBL7428123 0.86 PPARG (0.43) PPARAFFAR1PPARGNR4A2
SCHEMBL7421104 0.84 GRN (0.32) GRNSORT1NR4A2
SCHEMBL7425006 0.81 NR4A2 (0.36) GRNSORT1NR4A2
SCHEMBL7425812 0.80 GRN (0.33) GRNSORT1NR4A2
SCHEMBL7422281 0.80 SHMT1 (0.39) GRNSORT1
SCHEMBL7419478 0.77 MMP2 (0.42) PPARAPPARGGRNSORT1
SCHEMBL7426438 0.76 L3MBTL1 (0.34) GRNSORT1NR4A2
SCHEMBL7427310 0.74 CD274 (0.41) PPARGGRNSORT1NR4A2
SCHEMBL7429286 0.74 NR4A2 (0.31) NR4A2
SCHEMBL7424356 0.74 HDAC1 (0.36) GRNSORT1

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