SCHEMBL7304657

SCHEMBL7304657

Cc1ccc([S@@+]([O-])CC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.62
GFER P55789 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CTRB1 P17538 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL7304660 1.00 PREP (0.62) PREPGFERKMT2AMEN1KLK7
SCHEMBL7304654 1.00 PREP (0.62) PREPGFERKMT2AMEN1KLK7
SCHEMBL7297939 0.94 PREP (0.65) PREPGFERKMT2AKLK7KLK5
SCHEMBL7308507 0.94 PREP (0.65) PREPGFERKMT2AKLK7KLK5
SCHEMBL7297933 0.94 PREP (0.65) PREPGFERKMT2AKLK7KLK5
SCHEMBL7309334 0.94 PREP (0.65) PREPGFERKMT2AKLK7KLK5
SCHEMBL7297811 0.92 PREP (0.63) PREPKMT2AMEN1KLK7KLK5
SCHEMBL7305860 0.92 PREP (0.63) PREPKMT2AMEN1KLK7KLK5
SCHEMBL7297819 0.92 PREP (0.63) PREPKMT2AMEN1KLK7KLK5
SCHEMBL7297805 0.92 PREP (0.63) PREPKMT2AMEN1KLK7KLK5

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
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed