SCHEMBL8916507

SCHEMBL8916507

O=C(O)N1CCOCC1S

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
CA2 P00918 2/20 0.42
PDK1 Q15118 3/20 0.33
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
FKBP1A P62942 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL925416 0.77 CA12 (0.40) CA12CA1CA9CA2PDK1
SCHEMBL3991346 0.75 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL5742303 0.75 CA12 (0.46) CA12CA1CA9CA2PDK1
SCHEMBL11842706 0.75 CA12 (0.39) CA12CA1CA9CA2PDK1
SCHEMBL5239461 0.75 CA12 (0.39) CA12CA1CA9CA2PDK1
SCHEMBL14645780 0.75 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL29122407 0.75 CA12 (0.46) CA12CA1CA9CA2PDK1
SCHEMBL21805912 0.75 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL22091994 0.75 CA12 (0.46) CA12CA1CA9CA2PDK1
Hydrochloric Acid SCHEMBL29178589 0.73 CA12 (0.55) CA12CA1CA9CA2PDK1

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
WO-1997047626-A1 BICYCLIC HYDANTOIN DERIVATIVES, INTERMEDIATES FOR THE PREPARATION THEREOF, PROCESS FOR THE PREPARATION OF THEM, AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-12-18 WO disclosed