SCHEMBL7091702

SCHEMBL7091702

CCC(=O)OCC1(CC)COC2(OC1)OCC(CC)(COC(=O)CC)CO2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
PRKCA P17252 1/20 0.34
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3462896 0.85 TSHR (0.45) TSHRPRKCANAAAALDH1A1CYP1A2
SCHEMBL7087659 0.85 ALDH1A1 (0.38) TSHRPRKCAALDH1A1
SCHEMBL24062145 0.82 TSHR (0.40) TSHRPRKCANAAAALDH1A1CYP1A2
SCHEMBL4496230 0.79 PRKCA (0.34) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL12263773 0.74 TSHR (0.48) TSHRPRKCA
SCHEMBL25525763 0.74 TSHR (0.45) TSHRPRKCA
SCHEMBL14563512 0.73 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL17208827 0.73 NAAA (0.36) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL21561626 0.72 PRKCA (0.36) TSHRPRKCAALDH1A1CYP2C19
SCHEMBL3462874 0.72 TSHR (0.46) TSHRPRKCAALDH1A1

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 4 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
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