SCHEMBL7305860

SCHEMBL7305860

COc1ccc([S@+]([O-])CC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.63
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
CTRB1 P17538 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7297805 1.00 PREP (0.63) PREPNPSR1ALDH1A1TP53KDM4E
SCHEMBL7297811 1.00 PREP (0.63) PREPNPSR1ALDH1A1TP53KDM4E
SCHEMBL7297819 1.00 PREP (0.63) PREPNPSR1ALDH1A1TP53KDM4E
SCHEMBL7297933 0.92 PREP (0.65) PREPNPSR1KDM4ELMNAKMT2A
SCHEMBL7308507 0.92 PREP (0.65) PREPNPSR1KDM4ELMNAKMT2A
SCHEMBL7309334 0.92 PREP (0.65) PREPNPSR1KDM4ELMNAKMT2A
SCHEMBL7297939 0.92 PREP (0.65) PREPNPSR1KDM4ELMNAKMT2A
SCHEMBL7304657 0.92 PREP (0.62) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7304660 0.92 PREP (0.62) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7304654 0.92 PREP (0.62) PREPNPSR1ALDH1A1KDM4ELMNA

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