SCHEMBL17253286

SCHEMBL17253286

CC(C)(C)OC(=O)c1ccc(C(N)=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DGAT1 O75907 1/20 0.40
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
PARP1 P09874 2/20 0.39
TRPA1 O75762 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ELANE P08246 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL16241974 0.86 LMNA (0.50) CA1CA2CA12CA9CA14
SCHEMBL23414073 0.86 L3MBTL1 (0.40) CA1CA2CA12CA9CA14
SCHEMBL6115595 0.85 RECQL (0.39) CA1CA2CA12CA9CA14
SCHEMBL8401684 0.85 RECQL (0.39) CA1CA2CA12CA9CA14
SCHEMBL2011456 0.84 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL14785200 0.84 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL355847 0.81 GAA (0.44) CA1CA2CA12CA9CA14
SCHEMBL591090 0.80 CES2 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17864532 0.79 NR1H4 (0.47) CA1CA2CA12CA9CA14
SCHEMBL17374982 0.79 EGFR (0.47) CA1CA2CA12CA9CA14

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-2015170775-A1 SUBSTITUTED AZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES 日産化学工業株式会社 2015-11-12 WO disclosed