SCHEMBL13869027

SCHEMBL13869027

CCOCCOC(=O)C1(c2ccc(OC)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.67
▸ CHRM2 P08172 4/20 0.67
▸ CHRM5 P08912 1/20 0.54
▸ CHRM3 P20309 1/20 0.54
▸ SIGMAR1 Q99720 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PRCP P42785 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL28318807 0.87 OPRM1 (0.57) CHRM1CHRM2LMNATDP1SLC22A1
SCHEMBL845020 0.84 ALDH1A1 (0.64) CHRM1CHRM2SIGMAR1LMNATDP1
SCHEMBL9961314 0.80 CHRM1 (0.53) CHRM1CHRM2CHRM5CHRM3SIGMAR1
SCHEMBL11219532 0.78 OPRM1 (0.58) CHRM1CHRM2CHRM5CHRM3SIGMAR1
SCHEMBL10351842 0.77 OPRM1 (0.53) CHRM1CHRM2SLC22A1OPRM1
SCHEMBL10351516 0.77 OPRM1 (0.53) CHRM1CHRM2SLC22A1OPRM1
SCHEMBL837139 0.77 ALDH1A1 (0.55) CHRM1CHRM2CHRM5CHRM3LMNA
SCHEMBL348542 0.74 ALDH1A1 (0.49) CHRM1CHRM2SIGMAR1LMNATDP1
SCHEMBL3972206 0.74 ALDH1A1 (0.63) CHRM1CHRM2CHRM5CHRM3SIGMAR1
SCHEMBL31436666 0.74 OPRM1 (0.52) CHRM1CHRM2LMNATDP1ALDH1A1

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-1868982-B1 COMPOUNDS THAT STIMULATE GLUCOSE UTILIZATION AND METHODS OF USE UNIV ALBERTA (CA) 2015-04-29 — — EP disclosed
US-7524885-B2 Compounds that stimulate glucose utilization and methods of use THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2009-04-28 — — US disclosed
US-7524885-B2 Compounds that stimulate glucose utilization and methods of use THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2009-04-28 — — US disclosed
Send feedback