SCHEMBL7300029

SCHEMBL7300029

CC(C)[S+]([O-])CC(O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
CTRB1 P17538 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CTSK P43235 1/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7300023 1.00 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7308507 0.89 PREP (0.65) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7309334 0.89 PREP (0.65) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7297939 0.89 PREP (0.65) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7297933 0.89 PREP (0.65) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7304654 0.87 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7304657 0.87 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7304660 0.87 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL9872921 0.86 PREP (0.76) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL9872924 0.86 PREP (0.76) PREPCTRB1NPSR1TSHRL3MBTL1

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