SCHEMBL9530731

SCHEMBL9530731

CC(=O)O[C@H]1CC(=O)N(CC(=O)Cl)C1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL9530208 1.00 TSHR (0.33) TSHRL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL26764167 0.82 ALDH1A1 (0.39) TSHRPOLBALOX15
SCHEMBL9530410 0.81 PLA2G10 (0.39) POLB
SCHEMBL23641866 0.78 GAA (0.40)
SCHEMBL9534617 0.77 CHRNA7 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3593084 0.77 ALDH1A1 (0.55) TSHRPOLBALOX15
SCHEMBL9636719 0.77 ALDH1A1 (0.55) TSHRPOLBALOX15
SCHEMBL9534142 0.75 POLB (0.36) TSHRL3MBTL1POLB
SCHEMBL3562356 0.73 POLB (0.37) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8080652 0.73 POLB (0.37) TSHRCHRM2CHRM4CHRM1CHRM3

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-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed
US-4734498-A 3β-succinimidoazetidinones as chiral intermediates ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0252744-A2 3-Beta-(3,4-disubstituted succinimido)azetidinones ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed