SCHEMBL7088577

SCHEMBL7088577

CC1OC2(OCC(O)(c3ccccc3)CO2)OCC1(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
SLC6A2 P23975 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
PTGS2 P35354 1/20 0.35
OPRL1 P41146 5/20 0.35
OPRM1 P35372 4/20 0.35
OPRK1 P41145 3/20 0.35
MAPT P10636 1/20 0.35
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRND Q07001 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5866514 0.73 CHRNB2 (0.45) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8990373 0.71 CHRNB2 (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL16823462 0.66 OPRL1 (0.45) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2640739 0.65 MAPT (0.59) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6129709 0.64 CHRM2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL63455 0.64 CHRM2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL19852294 0.64 CHRNB2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL23259077 0.63 OPRM1 (0.47) SLC6A2SLC6A3OPRL1OPRM1OPRK1
SCHEMBL9050966 0.63 OPRL1 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11476687 0.60 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1CYP2C9

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
US-6653486-B2 Photopolymerizable; vinyl ether, photoinitiator, iodinium salt, and visible light sensitizer; dentistry, adhesives CURATORS OF THE UNIVERSITY OF MISSOURI 2003-11-25 US disclosed
US-20030119931-A1 Novel spiroorthocarbonates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-06-26 US disclosed
US-6458865-B2 FOR DENTAL RESTORATION MATERIAL CURATORS OF THE UNIVERSITY OF MISSOURI 2002-10-01 US disclosed
EP-1165627-A4 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES UNIV MISSOURI (US) 2002-03-20 EP disclosed
US-20020013380-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
EP-1165627-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2002-01-02 EP disclosed
WO-2000042080-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2000-07-20 WO disclosed