SCHEMBL27797809

SCHEMBL27797809

CC(OC(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.40
TP53 P04637 1/20 0.35
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 2/20 0.34
LTA4H P09960 1/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPEP Q07075 2/20 0.31
GABRP O00591 3/20 0.31
GABRD O14764 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31

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
SCHEMBL12190137 1.00 SLC7A5 (0.40) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL13311350 0.95 SLC7A5 (0.37) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL1396484 0.84 TP53 (0.38) SLC7A5TP53CYP1A2GAACYP2C9
SCHEMBL1396394 0.84 TP53 (0.38) SLC7A5TP53CYP1A2GAACYP2C9
SCHEMBL22989704 0.81 SLC7A5 (0.54) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL13894361 0.81 SLC7A5 (0.54) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL3729184 0.81 SLC7A5 (0.54) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL13255279 0.80 TP53 (0.35) TP53CYP1A2GAACYP2C9PKM
SCHEMBL31461600 0.80 KMT2A (0.33) CYP2C9KMT2AMAPT
SCHEMBL27216213 0.80 SLC7A5 (0.40) SLC7A5TP53SLC1A3SLC1A2SLC1A1

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
CN-101932341-A Mr imaging agent or medium compressing hzperpolarised 13c alanine and methods of imaging wherein such an imaging medium is used GE HEALTHCARE LTD 2010-12-29 CN disclosed