SCHEMBL2318219

SCHEMBL2318219

COc1ccccc1CC(=O)N[C@H](CC(=O)O)Cc1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
MMEL1 Q495T6 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
PSMB5 P28074 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSA P10619 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL2318230 1.00 MME (0.50) MMEMMEL1MEN1KMT2ATSHR
SCHEMBL2316139 0.87 ITGB1 (0.50) MMEMMEL1MEN1KMT2ATSHR
SCHEMBL2316145 0.87 ITGB1 (0.50) MMEMMEL1MEN1KMT2ATSHR
SCHEMBL2318924 0.83 MME (0.58) MMEMMEL1MEN1KMT2ATAAR1
SCHEMBL2318931 0.83 MME (0.58) MMEMMEL1MEN1KMT2ATAAR1
SCHEMBL2315968 0.82 TAAR1 (0.62) MMEMMEL1MEN1KMT2ATSHR
SCHEMBL2315959 0.82 TAAR1 (0.62) MMEMMEL1MEN1KMT2ATSHR
SCHEMBL2316457 0.79 LMNA (0.55) MMEMMEL1MEN1KMT2ATAAR1
SCHEMBL2316474 0.79 LMNA (0.55) MMEMMEL1MEN1KMT2ATAAR1
SCHEMBL2314826 0.78 MME (0.49) MMEPSMB5CTSA

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