SCHEMBL13879302

SCHEMBL13879302

CC(=O)[C@H](N)Cc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.50
PTGS1 P23219 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
XIAP P98170 1/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
CSK P41240 1/20 0.42
TPH1 P17752 1/20 0.42
GRB2 P62993 1/20 0.42
SLC15A1 P46059 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL503768 0.83 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL13323408 0.83 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2603687 0.83 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL216414 0.83 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL13696626 0.83 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12285673 0.83 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL4672949 0.83 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14387733 0.83 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL8279093 0.83 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL296278 0.83 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP

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
EP-1945621-B1 PROCESS TO PREPARE AMINO ACID DERIVATIVES REDDY S LAB EU LTD DR (GB) 2009-04-15 EP disclosed