SCHEMBL4748271

SCHEMBL4748271

N[C@@H](Cc1ccccc1)C(=O)OP(N)(=O)OC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
LAP3 P28838 5/20 0.50
ANPEP P15144 2/20 0.50
SLC15A1 P46059 2/20 0.50
LTA4H P09960 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
HDAC8 Q9BY41 2/20 0.45
SRR Q9GZT4 2/20 0.45
CTSC P53634 1/20 0.43

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
SCHEMBL4748266 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29761129 0.89 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4748270 0.89 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Phosphoramidic Acid SCHEMBL1691253 0.87 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
Phosphoramidic Acid SCHEMBL13858640 0.87 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4958184 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7868422 0.86 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8610212 0.85 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7532724 0.83 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.82 SLC7A5 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012142388-A2 METHODS, COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING ANXIETY AND MOOD DISORDERS NEW YORK UNIVERSITY (US) 2012-10-18 WO claimed
WO-2015009897-A1 COMPOSITIONS AND METHODS FOR PRESERVING RED BLOOD CELLS AND PLATELETS RYTHRX THERAPEUTICS, LLC (US) 2015-01-22 WO disclosed
WO-2008121941-A1 PRODRUGS OF TRICIRIBINE AND TRICIRIBINE PHOSPHATE TSRL, INC. (US) 2008-10-09 WO disclosed
US-6475985-B1 Nucleosides with antiviral and anticancer activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-11-05 US disclosed
WO-1999049873-A1 NUCLEOSIDES WITH ANTIVIRAL AND ANTICANCER ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-10-07 WO disclosed