SCHEMBL8900608

SCHEMBL8900608

CC(=O)O[C@H]1CN(C(=O)OCc2ccccc2)[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
BCHE P06276 1/20 0.39
PREP P48147 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.38
CTSK P43235 1/20 0.37

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
SCHEMBL19499310 0.93 KLK7 (0.41) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL9230633 0.92 L3MBTL1 (0.42) KLK7KLK5L3MBTL1BCHEPREP
SCHEMBL19506208 0.88 TMEM97 (0.38) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL8796249 0.87 PREP (0.41) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL9077430 0.87 PREP (0.41) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL9440012 0.87 L3MBTL1 (0.39) KLK7KLK5L3MBTL1BCHEPREP
SCHEMBL9078167 0.85 L3MBTL1 (0.47) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL8795737 0.82 L3MBTL1 (0.42) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL8838990 0.82 L3MBTL1 (0.44) KLK7KLK5L3MBTL1PREPMEN1
SCHEMBL19506209 0.82 L3MBTL1 (0.41) KLK7KLK5L3MBTL1BCHEMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700918-A ANTIINFLAMMATORY AND ANTIVIRAL AGENT NIPPON SHINYAKU CO., LTD. (JP) 1997-12-23 US disclosed
US-5498604-A MORANOLINE DERIVATIVES, CELL ADHESION INHIBITORS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0627442-A1 LEWIS-TYPE SUGAR CHAIN DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-12-07 EP disclosed