SCHEMBL4958337

SCHEMBL4958337

CCCCOc1ccc2c(=O)[nH]c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA6 P23280 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL4958390 0.96 HDAC1 (0.51) CA12CA1CA2CA6CA7
SCHEMBL14262265 0.91 KDM4E (0.44) CA12CA1CA2CA6CA7
SCHEMBL4963261 0.88 ALDH1A1 (0.55) CA12CA1CA6CA7CA9
SCHEMBL14262266 0.87 HDAC1 (0.52) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL14262263 0.86 CA12 (0.54) CA12CA1CA9KDM4EALDH1A1
SCHEMBL17260692 0.82 CA12 (0.56) CA12CA1CA2CA6CA7
SCHEMBL2284104 0.80 KDM4E (0.57) CA12CA1CA2CA7CA9
SCHEMBL8961840 0.80 XDH (0.65) CA12CA1CA2CA6CA7
SCHEMBL14262271 0.80 IGLV6-57 (0.42) CA12CA1CA6CA7CA9
SCHEMBL14262269 0.79 ALDH1A1 (0.59) CA12CA9KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045487-B2 Toning agents for use in substantially light-insensitive recording materials AGFA GEVAERT (BE) 2006-05-16 US claimed
EP-1431814-B1 Toning agents for use in substantially light-insensitive recording materials. AGFA GEVAERT (BE) 2006-04-26 EP claimed
US-7018786-B2 Toning agents for use in thermographic recording materials AGFA GEVAERT (BE) 2006-03-28 US claimed
US-20040152027-A1 Toning agents for use in thermographic recording materials AGFA-GEVAERT (BE) 2004-08-05 US claimed
US-20040131982-A1 Toning agents for use in substantially light-insensitive recording materials AGFA-GEVAERT (BE) 2004-07-08 US claimed
EP-1435298-A2 Toning agents for use in thermographic and photothermographic recording materials Agfa-Gevaert (BE) 2004-07-07 EP claimed
EP-1431814-A1 Toning agents for use in substantially light-insensitive recording materials. Agfa-Gevaert (BE) 2004-06-23 EP claimed
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
US-7045487-B2 Toning agents for use in substantially light-insensitive recording materials AGFA GEVAERT (BE) 2006-05-16 US disclosed
EP-1431814-B1 Toning agents for use in substantially light-insensitive recording materials. AGFA GEVAERT (BE) 2006-04-26 EP disclosed
US-7018786-B2 Toning agents for use in thermographic recording materials AGFA GEVAERT (BE) 2006-03-28 US disclosed
US-20050003298-A1 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2005-01-06 US disclosed
US-20050003315-A1 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2005-01-06 US disclosed
US-20040152027-A1 Toning agents for use in thermographic recording materials AGFA-GEVAERT (BE) 2004-08-05 US disclosed
US-20040131982-A1 Toning agents for use in substantially light-insensitive recording materials AGFA-GEVAERT (BE) 2004-07-08 US disclosed
EP-1435298-A2 Toning agents for use in thermographic and photothermographic recording materials Agfa-Gevaert (BE) 2004-07-07 EP disclosed
EP-1431814-A1 Toning agents for use in substantially light-insensitive recording materials. Agfa-Gevaert (BE) 2004-06-23 EP disclosed