SCHEMBL8307304

SCHEMBL8307304

FC(F)(F)Oc1ccccc1C#CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC6A3 Q01959 4/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 2/20 0.32
DRD2 P14416 3/20 0.32
GAA P10253 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
MPL P40238 1/20 0.31
SLC22A12 Q96S37 2/20 0.30
PTGES O14684 1/20 0.30
SCN9A Q15858 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL8914785 0.77 CA1 (0.44) FFAR1GAAALDH1A1L3MBTL1
SCHEMBL17974963 0.77 FFAR1 (0.47) FFAR1RXRARXRBRXRGSLC6A3
SCHEMBL27367665 0.75 FFAR1 (0.63) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL8304192 0.73 FFAR1 (0.43) FFAR1GAAALDH1A1L3MBTL1HSD11B1
SCHEMBL4292100 0.72 FFAR1 (0.42) FFAR1RXRARXRBRXRGSLC6A3
SCHEMBL29891014 0.72 FFAR1 (0.42) FFAR1RXRARXRBRXRGSLC6A3
SCHEMBL103547 0.72 GAA (0.46) FFAR1GAAALDH1A1SLC22A12PTGES
SCHEMBL10519027 0.72 FFAR1 (0.42) FFAR1RXRARXRBRXRGSLC6A3
SCHEMBL96814 0.72 FFAR1 (0.46) FFAR1RXRARXRBRXRGGAA
SCHEMBL8305078 0.71 FFAR1 (0.40) FFAR1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5605918-A SUBSTITUTED THIAZOLIDINE-2,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
US-5574051-A HYPOGLYCEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1996-11-12 US disclosed
WO-1995024400-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-14 WO disclosed