SCHEMBL7607982

SCHEMBL7607982

CCOC(=O)c1ccc(CNC(=O)CCl)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
ERCC1 P07992 2/20 0.43

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
SCHEMBL7604304 0.87 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL26107153 0.80 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL27658117 0.77 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL29213197 0.77 ERCC1 (0.67) SMN1; SMN2HTTALDH1A1MAPTKDM4E
SCHEMBL8431843 0.76 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL6289032 0.76 CYP4F2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL14144815 0.76 ALDH1A1 (0.52) CA1CA2SMN1; SMN2HTTALDH1A1
SCHEMBL26103595 0.76 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL8393845 0.76 TRPV1 (0.50) CA12CA1CA2CA7CA9
Trifluoroacetic Acid SCHEMBL6289920 0.75 TRPV1 (0.49) 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 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