SCHEMBL29017154

SCHEMBL29017154

CO[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.46
PTGS1 P23219 1/20 0.43
GLS O94925 6/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
FFAR1 O14842 1/20 0.43
PPARG P37231 3/20 0.42

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
SCHEMBL29392091 1.00 GPR139 (0.46) GPR139PTGS1GLSTRPM8FFAR1
SCHEMBL17295978 1.00 GPR139 (0.46) GPR139PTGS1GLSTRPM8FFAR1
SCHEMBL30337490 0.87 TRPM8 (0.47) GPR139GLSTRPM8
SCHEMBL31736098 0.86 GPR139 (0.44) GPR139PTGS1TRPM8FFAR1PPARG
SCHEMBL18069753 0.85 F9 (0.48)
SCHEMBL17295986 0.85 PTGS1 (0.45) PTGS1GLSPPARG
SCHEMBL17295975 0.85 FFAR1 (0.48) GPR139GLSTRPM8FFAR1
SCHEMBL29393863 0.85 FFAR1 (0.48) GPR139GLSTRPM8FFAR1
SCHEMBL21326187 0.83 L3MBTL1 (0.56) PTGS1
SCHEMBL18890289 0.83 L3MBTL1 (0.56) PTGS1

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-115594683-B Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司 2023-06-16 CN disclosed
CN-115594683-A Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司(CN) 2023-01-13 CN disclosed