SCHEMBL29157367

SCHEMBL29157367

CC(C)(C)OC(=O)c1ccc(S)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALOX15 P16050 1/20 0.39
HTR7 P34969 1/20 0.38
SRD5A1 P18405 1/20 0.37
TRPA1 O75762 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL4208340 0.84 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30208191 0.84 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30231213 0.82 KIF11 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28946880 0.82 KIF11 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL31587898 0.81 CA12 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL20928899 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28070857 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4816280 0.81 HDAC1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2453268 0.81 CA1 (0.52) CA12CA1CA2CA9CA14
SCHEMBL355461 0.80 HDAC1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2

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
CN-117242067-B Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2025-03-25 CN disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 CN disclosed