SCHEMBL7604479

SCHEMBL7604479

COC(=O)c1ccccc1OCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.46
HSP90AA1 P07900 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
ATR Q13535 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA5 P22460 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6168898 0.87 ALDH1A1 (0.49) HTTALDH1A1TSHRDRD2MEN1
SCHEMBL375401 0.86 SCN9A (0.50) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL7606699 0.84 CTSS (0.42) KCNA5
SCHEMBL19975481 0.83 CA12 (0.52) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL31425872 0.80 ALDH1A1 (0.52) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL20235270 0.80 ALDH1A1 (0.52) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL21505720 0.79 KDM4E (0.43) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL15304421 0.78 ALDH1A1 (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL2158784 0.77 KCNA5 (0.55) ALDH1A1TSHRKMT2AGAAATR
SCHEMBL25363213 0.77 HSP90AA1 (0.53) SLC6A3HSP90AA1MAPTHTTNPSR1

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 13 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
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 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-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed