SCHEMBL7732692

SCHEMBL7732692

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(COC(=O)C(=C)C)OC(=O)O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
HTT P42858 3/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.38
CYP1A2 P05177 1/20 0.38
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
PLA2G4B P0C869 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13588355 0.94 AR (0.57) ARHTTHIF1APOLBMAPT
SCHEMBL13588369 0.94 AR (0.57) ARHTTHIF1APOLBMAPT
SCHEMBL13588367 0.93 AR (0.58) ARHTTHIF1APOLBMAPT
SCHEMBL13588353 0.93 AR (0.55) ARHTTHIF1APOLBMAPT
SCHEMBL6535230 0.90 AR (0.51) ARHTTHIF1APOLBMAPT
Bicarbonate SCHEMBL7732697 0.90 HTT (0.51) ARHTTHIF1APOLBMAPT
SCHEMBL22020008 0.90 HTT (0.53) ARHTTHIF1APOLBMAPT
SCHEMBL20610370 0.90 HTT (0.53) ARHTTHIF1APOLBMAPT
SCHEMBL15349 0.90 HTT (0.53) ARHTTHIF1APOLBMAPT
SCHEMBL11967041 0.90 HTT (0.53) ARHTTHIF1APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407148-B1 ADHESIVE, CURABLE, OR AUTOPOLYMERIZING SEALANT FOR HARD TISSUE; BONDING STRENGTH; SHRINKAGE, POLYMERIZATION AND DISCOLORATION INHIBITION 3M ESPE AG (DE) 2002-06-18 US disclosed