SCHEMBL7499786

SCHEMBL7499786

COC(=O)C(CN(C(=O)OC(C)(C)C)C(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.50
KYNU Q16719 1/20 0.50
SYK P43405 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
BACE1 P56817 4/20 0.47
CTSS P25774 4/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 2/20 0.47

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
SCHEMBL7499769 1.00 CTSK (0.50) CTSKKYNUSYKALDH1A1ALOX15
SCHEMBL7568028 0.85 SYK (0.55) CTSKSYKBACE1CTSSCTSL
SCHEMBL7568024 0.85 SYK (0.55) CTSKSYKBACE1CTSSCTSL
SCHEMBL20364471 0.84 KYNU (0.49) CTSKKYNUSYKALDH1A1ALOX15
SCHEMBL7495407 0.84 SYK (0.49) CTSKSYKBACE1CTSSCTSL
SCHEMBL7495397 0.84 SYK (0.49) CTSKSYKBACE1CTSSCTSL
SCHEMBL7575306 0.84 SYK (0.50) CTSKSYKALDH1A1BACE1CTSS
SCHEMBL15122801 0.83 KYNU (0.48) CTSKKYNUSYKALDH1A1ALOX15
SCHEMBL18426810 0.83 KYNU (0.48) CTSKKYNUSYKALDH1A1ALOX15
SCHEMBL15122799 0.83 KYNU (0.48) CTSKKYNUSYKALDH1A1ALOX15

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
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed