SCHEMBL2316063

SCHEMBL2316063

O=C(O)C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
PSMB8 P28062 1/20 0.54
PSMB5 P28074 1/20 0.54
MME P08473 1/20 0.50
UTS2R Q9UKP6 1/20 0.50
FFAR2 O15552 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
SLC6A9 P48067 1/20 0.47
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46

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
SCHEMBL2316069 1.00 CNR2 (0.57) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2320615 0.92 CNR2 (0.67) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2320622 0.92 CNR2 (0.67) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2312501 0.87 CNR2 (0.57) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2312496 0.87 CNR2 (0.57) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2314065 0.86 MME (0.66) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2313700 0.86 MME (0.66) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2313693 0.86 MME (0.66) CNR2KMT2AMEN1PSMB8PSMB5
SCHEMBL2312586 0.86 CNR2 (0.50) CNR2MMEFFAR2ALDH1A1CTSG
SCHEMBL2312591 0.86 CNR2 (0.50) CNR2MMEFFAR2ALDH1A1CTSG

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-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed