SCHEMBL7606699

SCHEMBL7606699

CC(C)(C)OC(=O)NCOc1ccccc1C(=O)OCC#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.42
CTSK P43235 8/20 0.42
CTSB P07858 4/20 0.41
CTSL P07711 4/20 0.41
KCNA5 P22460 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
IDO1 P14902 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
SCHEMBL7604479 0.84 SLC6A3 (0.46) KCNA5
SCHEMBL6168898 0.80 ALDH1A1 (0.49) CTSSCTSKCTSBCTSLIDO1
SCHEMBL6289943 0.78 KCNA5 (0.43) CTSSCTSKCTSBCTSLKCNA5
SCHEMBL6289945 0.76 ADRB2 (0.44) CTSSCTSKCTSBCTSLADRB2
SCHEMBL375896 0.74 TBXAS1 (0.48) ADRB2ADRB1ADRB3NPC1RAB9A
Hydrochloric Acid SCHEMBL7603668 0.73 NPC1 (0.45) NPC1
SCHEMBL7647480 0.73 LTA4H (0.40)
SCHEMBL6290022 0.72 TDP1 (0.50) KCNA5ADRB2ADRB1ADRB3NPC1
SCHEMBL28216226 0.72 ADRB2 (0.50) KCNA5ADRB2ADRB1ADRB3NPC1
SCHEMBL375401 0.72 SCN9A (0.50) MALT1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP disclosed
EP-0920413-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1999-06-09 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed