SCHEMBL818575

SCHEMBL818575

CC1=CC(C(=O)OCC(C)C)C(C(=O)OCC(C)C)=CC=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CACNA1F O60840 4/20 0.33
CACNA1D Q01668 4/20 0.33
CACNA1S Q13698 4/20 0.33
CACNA1C Q13936 4/20 0.33
ADORA2B P29275 4/20 0.33
ALOX12 P18054 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
MAPT P10636 1/20 0.32
GPR35 Q9HC97 1/20 0.31
ADORA1 P30542 1/20 0.31
MCL1 Q07820 1/20 0.31
JMJD6 Q6NYC1 1/20 0.30
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL818604 0.80 TSHR (0.40) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL817439 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818003 0.76 KDM4E (0.34) ALDH1A1MAPT
SCHEMBL818971 0.76 ALDH1A1 (0.39) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818660 0.68 ALDH1A1 (0.39) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818284 0.67 ALDH1A1 (0.38) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL819233 0.66 ALDH1A1 (0.40) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL27496718 0.65 TSHR (0.38) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL817269 0.65 ALDH1A1 (0.39) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL818658 0.64 ALDH1A1 (0.38) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S

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
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed