SCHEMBL3440176

SCHEMBL3440176

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
HIF1A Q16665 1/20 0.48
AR P10275 2/20 0.47
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
APEX1 P27695 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
PLA2G4B P0C869 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 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
SCHEMBL6779525 0.94 HTT (0.47) HTTHIF1AARPOLBTDP1
SCHEMBL14173202 0.94 HTT (0.53) HTTHIF1AARPOLBTDP1
SCHEMBL22020008 0.94 HTT (0.53) HTTHIF1AARPOLBTDP1
SCHEMBL20610370 0.94 HTT (0.53) HTTHIF1AARPOLBTDP1
SCHEMBL11967041 0.94 HTT (0.53) HTTHIF1AARPOLBTDP1
SCHEMBL15349 0.94 HTT (0.53) HTTHIF1AARPOLBTDP1
SCHEMBL12054047 0.92 HTT (0.45) HTTHIF1AARPOLBTDP1
SCHEMBL20629605 0.92 AR (0.49) HTTHIF1AARPOLBTDP1
SCHEMBL12036420 0.92 HTT (0.47) HTTHIF1AARPOLBTDP1
SCHEMBL5081157 0.92 HTT (0.41) HTTHIF1AARPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163234-B1 DENTAL FILLING/RESTORATION KIT TOKUYAMA DENTAL CORP (JP) 2018-09-26 EP disclosed
EP-2163234-A1 DENTAL FILLING/RESTORATION KIT Tokuyama Dental Corporation (JP) 2010-03-17 EP disclosed
EP-1445120-B1 Photosensitive lithographic printing plate FUJIFILM CORP (JP) 2007-07-18 EP disclosed