SCHEMBL5695359

SCHEMBL5695359

N[C@@H](Cc1ccccc1)C(=O)OSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 2/20 0.49
LTA4H P09960 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
SRR Q9GZT4 2/20 0.44
CTSC P53634 1/20 0.42
IDO1 P14902 1/20 0.42
MMP2 P08253 1/20 0.42
CYP1A2 P05177 1/20 0.42
TYR P14679 1/20 0.41

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
SCHEMBL2785098 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9846767 0.80 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL288607 0.79 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8835936 0.79 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28820471 0.79 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15679078 0.78 ALPI (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1578212 0.78 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5968413 0.78 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22772654 0.78 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL299389 0.78 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006066439-A2 RNA-SEQUENCE OR NUCLEOSIDE/NUCLEOTIDE ANALOGUES AND METHOD FOR PRODUCING THE ANALOGUES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2006-06-29 WO disclosed
EP-1674573-A1 RNA-sequence or nucleoside/nucleotide analogues and method for producing the analogues ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2006-06-28 EP disclosed