SCHEMBL7424958

SCHEMBL7424958

CC(C)CC(C(=O)O)N(CCc1ccccc1-c1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
F7 P08709 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
NR4A2 P43354 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARA Q07869 1/20 0.32
AOC3 Q16853 1/20 0.32
CHRM1 P11229 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MAPK1 P28482 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
SCHEMBL7424732 0.83 MAPK1 (0.39) CNR2PPARAMAPK1
SCHEMBL7422445 0.82 SLC1A5 (0.40) GRNSORT1PPARACHRM1
SCHEMBL7419478 0.81 MMP2 (0.42) APPGRNSORT1F7ADAMTS5
SCHEMBL7422595 0.81 RXRA (0.40) GRNSORT1F7ADAMTS5AOC3
SCHEMBL7429356 0.79 MAPK1 (0.40) CNR2MAPK1
SCHEMBL7427310 0.77 CD274 (0.41) APPGRNSORT1KMT2ANR4A2
SCHEMBL7419020 0.77 GRN (0.38) GRNSORT1F7ADAMTS5AOC3
SCHEMBL7378945 0.76 MEN1 (0.48) KMT2AAOC3MMP1MMP3
SCHEMBL7430634 0.76 AOC3 (0.39) GRNSORT1ADAMTS5AOC3MMP1
SCHEMBL7426730 0.75 AOC3 (0.43) KMT2APTGER4PTGER2AOC3MAPK1

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