SCHEMBL15523819

SCHEMBL15523819

O=C(O)c1c(O)cc(Br)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP3A4 P08684 3/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
AKR1C4 P17516 1/20 0.46
ACHE P22303 1/20 0.46
TTR P02766 1/20 0.41
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL25329987 0.84 CYP3A4 (0.64) CYP3A4AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL22093028 0.84 AKR1C3 (0.39) CA1CA2CA12CA7CA9
SCHEMBL5603948 0.78 CYP3A4 (0.70) CA1CA2CA12CA7CA9
SCHEMBL180437 0.78 CYP3A4 (0.70) CA1CA2CA12CA7CA9
SCHEMBL24169250 0.77 PTPN1 (0.70) PTPN1PTPN11
Water SCHEMBL1285656 0.76 CYP3A4 (0.67) CA1CA2CA12CA7CA9
Benzene SCHEMBL28591583 0.76 CYP3A4 (0.67) CA1CA2CA12CA7CA9
SCHEMBL1884074 0.76 AKR1C3 (0.54) CA1CA2CA12CA7CA9
SCHEMBL1042051 0.76 CA12 (0.67) CA1CA2CA12CA7CA9
SCHEMBL8215504 0.76 CYP3A4 (0.67) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079989-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-07-14 US disclosed
US-20150025213-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-01-22 US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 US disclosed