SCHEMBL15345291

SCHEMBL15345291

CC(COC(N)=O)OC(N)=O.NC(=O)OCCCCCOC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
TSHR P16473 3/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1738987 0.88 TSHR (0.54) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL5830541 0.85 CHRNB2 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
Ethylene Glycol SCHEMBL7708268 0.82 LMNA (0.48) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2059697 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL31296577 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL5721434 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2746089 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2136691 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL5721317 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2139712 0.77 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657281-A1 Rubber Compositions Cytec Surface Specialties Germany GmbH (DE) 2013-10-30 EP claimed