SCHEMBL7584584

SCHEMBL7584584

COC(=O)c1c(O)cc(CNC(=O)CBr)cc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TRPV1 Q8NER1 6/20 0.43
ERCC1 P07992 3/20 0.43
ERCC4 Q92889 3/20 0.43
CYP3A4 P08684 2/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 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
SCHEMBL6292884 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6293521 0.76 TRPV1 (0.54) CA1CA2TRPV1CYP3A4HPGD
SCHEMBL12672610 0.74 KMT2A (0.55) TRPV1CYP3A4KDM4E
SCHEMBL29213173 0.73 ERCC1 (0.64) TRPV1ERCC1ERCC4
SCHEMBL31538660 0.73 LOXL2 (0.59) HPGDKDM4E
SCHEMBL12406995 0.73 LOXL2 (0.59) HPGDKDM4E
Hydrochloric Acid SCHEMBL6289459 0.71 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6289106 0.71 TRPV1 (0.43) TRPV1CYP3A4ACHEHPGD
SCHEMBL12659336 0.70 TRPV1 (0.44) TRPV1HPGD
SCHEMBL725269 0.69 CYP3A4 (0.77) CA12CA1CA2CA7CA9

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 5 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
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