SCHEMBL11255265

SCHEMBL11255265

CC(C)(C)OC(=O)c1ccc(SC[C]=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
SLC7A5 Q01650 1/20 0.38
ELANE P08246 2/20 0.38
STAT3 P40763 2/20 0.37
RHEB Q15382 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL11332154 0.82 KMT2A (0.49) CA12CA1CA2CA9CA14
SCHEMBL4200404 0.79 ALDH1A1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL109451 0.77 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL4200358 0.77 MAPT (0.49) CA12CA1CA2CA9CA14
SCHEMBL5071141 0.75 CA12 (0.47) CA12CA1CA2CA9CA14
Hydrazine SCHEMBL10771056 0.73 CA12 (0.62) CA12CA1CA2CA9CA14
SCHEMBL11082868 0.73 GABRA1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL9097558 0.73 CA1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL4867454 0.73 GABRA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL557689 0.73 ALDH1A1 (0.49) CA12CA1CA2CA9CA14

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-0052299-A1 2-Oxoazetidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1982-05-26 EP claimed