SCHEMBL6065300

SCHEMBL6065300

CC(C)(C)OC(=O)C1CCC2C=CC(C2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.34
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BTK Q06187 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HPGD P15428 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
SCHEMBL5403833 0.78 CHRM2 (0.37) MAPK1CHRM2CHRM1CHRM3BTK
SCHEMBL186721 0.77 HRH3 (0.51) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL1295721 0.77 HRH3 (0.51) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL28492122 0.77 HRH3 (0.51) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL1296976 0.76 HRH3 (0.41) HRH3MAPK1JAK1JAK2CHRM2
SCHEMBL1409867 0.76 HRH3 (0.41) HRH3MAPK1JAK1JAK2CHRM2
SCHEMBL7641822 0.75 ALDH1A1 (0.36) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL22263842 0.74 KDM4E (0.37) HRH3HPGD
SCHEMBL1586789 0.74 HRH3 (0.41) HRH3MAPK1JAK1JAK2CHRM2
SCHEMBL4228795 0.74 SMN1; SMN2 (0.42) HRH3CHRM2CHRM1CHRM3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626999-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS Exxonmobil Chemical Patents Inc. (US) 2006-02-22 EP disclosed
WO-2004101634-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-11-25 WO disclosed