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SCHEMBL9230633

SCHEMBL9230633

CC(=O)O[C@H]1[C@@H]2OC(c3ccccc3)OC[C@H]2N(C(=O)OCc2ccccc2)C[C@@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KLK7 P49862 2/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ BCHE P06276 1/20 0.39
▸ PREP P48147 3/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL9440012 0.93 L3MBTL1 (0.39) L3MBTL1KLK7KLK5BCHEPREP
SCHEMBL8900608 0.92 KLK7 (0.41) L3MBTL1KLK7KLK5BCHEPREP
SCHEMBL19499310 0.84 KLK7 (0.41) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL8795737 0.83 L3MBTL1 (0.42) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL8838990 0.83 L3MBTL1 (0.44) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL9077163 0.83 KLK7 (0.38) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL9077430 0.81 PREP (0.41) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL8796249 0.81 PREP (0.41) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL19506208 0.80 TMEM97 (0.38) L3MBTL1KLK7KLK5PREPHTR2C
SCHEMBL9079150 0.80 KLK7 (0.38) L3MBTL1KLK7KLK5PREPHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655457-A1 MORANOLINE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-05-31 — — EP disclosed