SCHEMBL3306485

SCHEMBL3306485

COc1cccc(OC)c1C(=O)[P](=O)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.42

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
Benzene SCHEMBL28834320 0.98 CA12 (0.64) CA12CA1CA2CA7CA9
Hexane SCHEMBL8530050 0.89 PPARA (0.56) CA12CA1CA2CA7CA9
SCHEMBL28735754 0.89 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL27874203 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL11127999 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL23610603 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27847575 0.80 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL14655799 0.79 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL11755425 0.78 CA1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL7865371 0.77 CA12 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583195-B2 Having deeper penetration due to transport structure of sealer BOND DISTRIBUTING, LTD. 2003-06-24 US claimed
US-20020110643-A1 UV curable deck sealer BOND DISTRIBUTING, LTD. 2002-08-15 US claimed
US-8580894-B2 Two part, low molecular weight self curing, low viscosity acrylic penetrant, sealant and coating composition, and methods for using the same INCOAT LLC (US) 2013-11-12 US disclosed
US-20100092664-A1 TWO PART, LOW MOLECULAR WEIGHT SELF CURING, LOW VISCOSITY ACRYLIC PENETRANT, SEALANT AND COATING COMPOSITION, AND METHODS FOR USING THE SAME INCOAT LLC 2010-04-15 US disclosed
US-6583195-B2 Having deeper penetration due to transport structure of sealer BOND DISTRIBUTING, LTD. 2003-06-24 US disclosed
US-20020110643-A1 UV curable deck sealer BOND DISTRIBUTING, LTD. 2002-08-15 US disclosed