SCHEMBL2494626

SCHEMBL2494626

CSCC[C@H](NCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.57
LMNA P02545 2/20 0.44
RNPEP Q9H4A4 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
PGGT1B P53609 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
CPB2 Q96IY4 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28008087 1.00 GGT1 (0.57) GGT1LMNARNPEPCA2CA1
Acrylic Acid SCHEMBL15312433 0.91 GGT1 (0.49) GGT1LMNARNPEPCA2CA1
SCHEMBL27963715 0.88 FNTA (0.45) GGT1LMNARNPEPCA2CA1
SCHEMBL149342 0.87 RNPEP (0.48) LMNARNPEPCA2CA1FNTA
SCHEMBL8755755 0.87 RNPEP (0.48) LMNARNPEPCA2CA1FNTA
SCHEMBL2118362 0.84 RNPEP (0.46) LMNARNPEPCA2CA1FNTA
SCHEMBL2118366 0.84 RNPEP (0.46) LMNARNPEPCA2CA1FNTA
SCHEMBL4450408 0.84 RNPEP (0.46) LMNARNPEPCA2CA1FNTA
SCHEMBL25555058 0.82 LMNA (0.48) LMNARNPEPCA2CA1FNTA
SCHEMBL4955830 0.81 FOLH1 (0.43) GGT1LMNARNPEPCA2FNTA

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
EP-2544993-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER Polyintell (FR) 2013-01-16 EP disclosed
WO-2011110994-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER POLYINTELL (FR) 2011-09-15 WO disclosed