SCHEMBL3900147

SCHEMBL3900147

c1ccc(OCCCOc2ccccc2CC2CO2)c(CC2CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
DRD4 P21917 2/20 0.38
HRH1 P35367 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD1 P21728 2/20 0.38
DRD2 P14416 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7129045 0.96 ALDH1A1 (0.46) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL3909222 0.95 ALDH1A1 (0.45) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL3896617 0.95 ALDH1A1 (0.45) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL3899604 0.95 ALDH1A1 (0.45) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL7123430 0.95 ALDH1A1 (0.47) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL14199651 0.88 ALDH1A1 (0.46) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL1129712 0.86 ALDH1A1 (0.64) ALDH1A1GLATDP1MAPTHPGD
SCHEMBL14199653 0.84 DRD4 (0.51) ALDH1A1GLATDP1L3MBTL1MAPT
SCHEMBL6305830 0.83 ALDH1A1 (0.46) ALDH1A1GLATDP1DRD4HRH1
SCHEMBL1312619 0.83 ALDH1A1 (0.46) ALDH1A1GLATDP1DRD4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781238-B1 DENTAL COMPOSITIONS CONTAINING OXIRANE MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2009-03-18 EP disclosed
EP-1781238-B1 DENTAL COMPOSITIONS CONTAINING OXIRANE MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2009-03-18 EP disclosed
US-20080085494-A1 Dental Compositions Containing Oxirane Monomers 3M ESPE AG (DE) 2008-04-10 US disclosed
US-20080085494-A1 Dental Compositions Containing Oxirane Monomers 3M ESPE AG (DE) 2008-04-10 US disclosed
US-20080085494-A1 Dental Compositions Containing Oxirane Monomers 3M ESPE AG (DE) 2008-04-10 US disclosed
EP-1781238-A1 DENTAL COMPOSITIONS CONTAINING OXIRANE MONOMERS 3M Innovative Properties Company (US) 2007-05-09 EP disclosed
WO-2006019797-A1 DENTAL COMPOSITIONS CONTAINING OXIRANE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-02-23 WO disclosed