SCHEMBL7424732

SCHEMBL7424732

CC(C)CC(C(=O)O)N(CCc1ccc(Cl)cc1-c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
CNR2 P34972 2/20 0.38
TYMP P19971 1/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SLC6A9 P48067 2/20 0.35
ACLY P53396 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MME P08473 6/20 0.35
ACE P12821 2/20 0.35
DHODH Q02127 1/20 0.34
MMEL1 Q495T6 1/20 0.34
DCLRE1B Q9H816 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL7429356 0.88 MAPK1 (0.40) MAPK1CNR2TYMPFFAR1MME
SCHEMBL7424958 0.83 APP (0.39) MAPK1CNR2PPARA
SCHEMBL7425621 0.80 SOS1 (0.44) MAPK1TYMP
SCHEMBL7422595 0.79 RXRA (0.40) MAPK1MMEACE
SCHEMBL7419980 0.78 AOC3 (0.46) MAPK1SLC6A9
SCHEMBL7426730 0.75 AOC3 (0.43) MAPK1
SCHEMBL7419478 0.75 MMP2 (0.42) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL7427483 0.75 SLC1A5 (0.54) SLC6A9FFAR1FFAR4
SCHEMBL7421892 0.73 NR4A2 (0.51) FFAR1FFAR4
SCHEMBL7430634 0.73 AOC3 (0.39) MAPK1

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 disclosed