SCHEMBL28008689

SCHEMBL28008689

CCOC(=O)C#Cc1ccccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
TSHR P16473 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
NLRP3 Q96P20 3/20 0.38
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL28008715 0.86 CYP4F2 (0.43) FFAR1TSHRCYP4F2CYP4A11ALDH1A1
SCHEMBL9372996 0.85 FFAR1 (0.47) FFAR1TSHRALDH1A1GAAL3MBTL1
SCHEMBL6774626 0.82 GRM5 (0.46) FFAR1TSHRALDH1A1GAAL3MBTL1
SCHEMBL4637931 0.82 PTGDR2 (0.47) FFAR1TSHRALDH1A1GAAL3MBTL1
SCHEMBL16713296 0.81 L3MBTL1 (0.46) TSHRALDH1A1GAAL3MBTL1KMT2A
SCHEMBL852401 0.81 FFAR1 (0.47) FFAR1TSHRALDH1A1GAAL3MBTL1
SCHEMBL852937 0.80 ALDH1A1 (0.49) TSHRALDH1A1GAAL3MBTL1KMT2A
SCHEMBL28008282 0.80 NLRP3 (0.39) TSHRALDH1A1GAAL3MBTL1KMT2A
SCHEMBL5814653 0.79 FFAR1 (0.53) FFAR1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL852513 0.77 GAA (0.50) FFAR1TSHRGAAKMT2AMEN1

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
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed