SCHEMBL7429356

SCHEMBL7429356

CC(C)CC(C(=O)O)N(CCc1ccc(-c2cccc(Cl)c2)cc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
FFAR1 O14842 1/20 0.39
MME P08473 11/20 0.39
ACE P12821 5/20 0.39
DCLRE1B Q9H816 1/20 0.39
MMEL1 Q495T6 1/20 0.38
TYMP P19971 1/20 0.38
SLC6A7 Q99884 1/20 0.38
PTGES O14684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CNR2 P34972 2/20 0.37

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 0.88 MAPK1 (0.39) MAPK1FFAR1MMEACEDCLRE1B
SCHEMBL7422595 0.82 RXRA (0.40) MAPK1MMEACEPTGES
SCHEMBL7425621 0.81 SOS1 (0.44) MAPK1TYMP
SCHEMBL7424958 0.79 APP (0.39) MAPK1CNR2
SCHEMBL7419980 0.79 AOC3 (0.46) MAPK1TAAR1
SCHEMBL7419478 0.78 MMP2 (0.42) MMEACECNR2
SCHEMBL7424891 0.76 PTGS2 (0.43) FFAR1PTGES
SCHEMBL7426730 0.76 AOC3 (0.43) MAPK1TAAR1
SCHEMBL7427483 0.76 SLC1A5 (0.54) FFAR1
SCHEMBL7421892 0.74 NR4A2 (0.51) FFAR1

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