SCHEMBL7430634

SCHEMBL7430634

CC(C)CC(C(=O)O)N(CCc1cccc(Cc2cc(Cl)cc(Cl)c2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC2A1 P11166 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MAPK1 P28482 1/20 0.34
TACR1 P25103 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34

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
SCHEMBL7426730 0.98 AOC3 (0.43) AOC3TAAR1SLC2A1MAPK1
SCHEMBL7419980 0.94 AOC3 (0.46) AOC3TAAR1SLC2A1MAPK1
SCHEMBL7419020 0.90 GRN (0.38) AOC3GRNSORT1MMP3TACR1
SCHEMBL7422595 0.86 RXRA (0.40) AOC3GRNSORT1MAPK1ADAMTS5
SCHEMBL7424530 0.84 LTB4R (0.44)
SCHEMBL7419478 0.80 MMP2 (0.42) GRNSORT1MMP3ADAMTS5
SCHEMBL7378945 0.80 MEN1 (0.48) AOC3TAAR1MMP1MMP3
SCHEMBL7421892 0.80 NR4A2 (0.51)
SCHEMBL7417819 0.78 HDAC1 (0.34) GRNSORT1
SCHEMBL7424617 0.78 MAOB (0.42)

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