SCHEMBL7587306

SCHEMBL7587306

NCc1ccc(O)c(C(=O)NO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
PLG P00747 7/20 0.50
KLK1 P06870 7/20 0.50
KLK6 Q92876 7/20 0.50
KLKB1 P03952 5/20 0.50
MPO P05164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
EGFR P00533 1/20 0.47
CTSB P07858 1/20 0.46
MMP9 P14780 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3B Q9UBC3 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
LCK P06239 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
Hydrochloric Acid SCHEMBL7604067 0.98 HDAC6 (0.53) HDAC6HDAC3NCOR2PLGKLK1
SCHEMBL8397578 0.86 MPO (0.64) HDAC6HDAC3NCOR2PLGKLK1
SCHEMBL28345255 0.82 MPO (0.48) HDAC6KLKB1MPOKDM4EGAA
SCHEMBL8815944 0.79 KLKB1 (0.71) KLKB1KDM4EHIF1AEGFRCTSB
SCHEMBL3846227 0.79 KLKB1 (0.71) KLKB1KDM4EHIF1AEGFRCTSB
SCHEMBL21632307 0.78 PLG (0.49) PLGKLK1KLK6KLKB1KDM4E
SCHEMBL852964 0.77 CA12 (0.61) PLGKLK1KLK6KLKB1KDM4E
Hydrochloric Acid SCHEMBL1165499 0.76 CA12 (0.59) PLGKLK1KLK6KLKB1KDM4E
SCHEMBL13293974 0.76 PLG (0.61) PLGKLK1KLK6KLKB1
SCHEMBL732923 0.76 ALOX5 (0.64) HDAC6KLKB1MPOKDM4EGAA

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 14 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-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 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