SCHEMBL8304192

SCHEMBL8304192

FC(F)(F)c1ccccc1C#CCBr

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.39
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.33
AR P10275 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
ADORA2B P29275 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HSD11B1 P28845 1/20 0.30
NFKB1 P19838 1/20 0.30
KIF11 P52732 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
SCHEMBL6507538 0.81 FFAR1 (0.47) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL5542869 0.81 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL21974241 0.81 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL11236978 0.77 FFAR1 (0.40) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL8902611 0.77 FFAR1 (0.40) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL436732 0.74 MME (0.40) PTGDR2
SCHEMBL5250347 0.74 FFAR1 (0.46) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL21376142 0.74 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL5250349 0.74 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL8307304 0.73 FFAR1 (0.47) FFAR1ALDH1A1L3MBTL1SLC22A12GAA

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