SCHEMBL8000130

SCHEMBL8000130

CC(C)C(OC(N)=O)C(C)C.CSCCOC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
LMNA P02545 4/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
TSHR P16473 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.36
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL113863 0.83
Methyl Carbamate SCHEMBL28857887 0.77 LMNA (0.43) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL3262366 0.77 LMNA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL29728569 0.72 LMNA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL16244135 0.71
SCHEMBL30036014 0.69 ALDH1A1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL11981899 0.69 RNPEP (0.35) CYP2C9MAPTMETAP2METAP1
SCHEMBL29194221 0.68 LMNA (0.48) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28530549 0.68 LMNA (0.41) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28530548 0.68 LMNA (0.41) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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-0732944-A4 LABELED CHEMOTACTIC PEPTIDES TO IMAGE FOCAL SITES OF INFECTION OR INFLAMMATION GEN HOSPITAL CORP (US) 2000-06-07 EP disclosed
EP-0732944-A1 LABELED CHEMOTACTIC PEPTIDES TO IMAGE FOCAL SITES OF INFECTION OR INFLAMMATION THE GENERAL HOSPITAL CORPORATION (US) 1996-09-25 EP disclosed
WO-1995011045-A1 LABELED CHEMOTACTIC PEPTIDES TO IMAGE FOCAL SITES OF INFECTION OR INFLAMMATION THE GENERAL HOSPITAL CORPORATION (US) 1995-04-27 WO disclosed