SCHEMBL8088848

SCHEMBL8088848

CC(=O)OC1CC(=O)N(Br)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
CHRM2 P08172 4/20 0.33
CHRM1 P11229 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3562356 0.79 POLB (0.37) POLBCHRM2CHRM1MEN1CYP2D6
SCHEMBL8080652 0.79 POLB (0.37) POLBCHRM2CHRM1MEN1CYP2D6
SCHEMBL26764167 0.75 ALDH1A1 (0.39) POLBALOX15TSHR
SCHEMBL23641866 0.71 GAA (0.40)
SCHEMBL9530731 0.71 TSHR (0.33) POLBCHRM2CHRM1CHRM4CHRM3
SCHEMBL9530208 0.71 TSHR (0.33) POLBCHRM2CHRM1CHRM4CHRM3
SCHEMBL11048580 0.70 MT-CO2 (0.57) POLBALOX5
SCHEMBL14599844 0.69 CHRM2 (0.37) POLBCHRM2CHRM1MEN1CYP2D6
SCHEMBL411121 0.69 CHRM2 (0.37) POLBCHRM2CHRM1MEN1CYP2D6
SCHEMBL12052490 0.69 CHRM2 (0.37) POLBCHRM2CHRM1MEN1CYP2D6

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-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US claimed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed