SCHEMBL7582391

SCHEMBL7582391

N#CCOC(=O)c1c(O)cc(CN)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA7 P43166 1/20 0.35
CYP3A4 P08684 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TNKS O95271 1/20 0.33
HPGD P15428 1/20 0.33
SERPINE1 P05121 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
SLC2A1 P11166 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL6289986 0.80 SERPINE1 (0.44) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL6292878 0.79 SERPINE1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL22767197 0.75 LOXL2 (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL7596894 0.74 CYP3A4 (0.45) NR1H2NR1H3ALDH1A1KDM4ECA12
Hydrochloric Acid SCHEMBL7596967 0.73 CYP3A4 (0.44) NR1H2NR1H3ALDH1A1KDM4ECA12
Hydrochloric Acid SCHEMBL6289459 0.73 CA12 (0.52) NR1H2NR1H3ALDH1A1KDM4ECA12
SCHEMBL17268179 0.70 CA12 (0.57) NR1H2NR1H3ALDH1A1KDM4EPKM
SCHEMBL7591984 0.69 CA1 (0.44) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL13314438 0.67 CA12 (0.50) PKMCA12CA1CA2CA9
SCHEMBL70033 0.67 TNKS (0.50) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 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-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
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed