SCHEMBL7425285

SCHEMBL7425285

CC(C)CC(C(=O)O)N(CCc1ccc(OCc2csc3ccc(Cl)cc23)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
FFAR1 O14842 5/20 0.40
FFAR4 Q5NUL3 4/20 0.40
MAOB P27338 1/20 0.40
CPB1 P15086 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
C5AR1 P21730 1/20 0.37
MAPT P10636 1/20 0.37
CYP2A6 P11509 1/20 0.36
PTGER4 P35408 1/20 0.36
CMA1 P23946 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
SCHEMBL7428935 0.91 KEAP1 (0.41) KEAP1NFE2L2FFAR4CPB1SLC22A12
SCHEMBL7425284 0.86 KEAP1 (0.41) KEAP1NFE2L2FFAR4CPB1C5AR1
SCHEMBL7424617 0.81 MAOB (0.42) FFAR1FFAR4MAOB
SCHEMBL8248789 0.79 KEAP1 (0.43) KEAP1NFE2L2FFAR1FFAR4MAOB
SCHEMBL5869605 0.79 KEAP1 (0.43) KEAP1NFE2L2FFAR1FFAR4MAOB
SCHEMBL7423336 0.76 PARP10 (0.46) FFAR1FFAR4
SCHEMBL7428192 0.74 CARM1 (0.46) FFAR1
SCHEMBL7424454 0.74 NR4A2 (0.49) FFAR1MAOB
SCHEMBL7425296 0.74 KEAP1 (0.42) KEAP1NFE2L2FFAR1FFAR4CPB1
SCHEMBL7426589 0.74 MAOB (0.51) FFAR1MAOB

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