SCHEMBL7568238

SCHEMBL7568238

CCCCCC(C=C(C)F)CCCCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
FDPS P14324 4/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
CA1 P00915 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
TP53 P04637 1/20 0.33
LAP3 P28838 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL28281546 0.79 LMNA (0.44) LMNAMAPTTSHRSMN1; SMN2FDPS
SCHEMBL2441613 0.77 LMNA (0.38) LMNAMAPTTSHRSMN1; SMN2OPRM1
SCHEMBL24735792 0.74 SPHK1 (0.41) LMNAMAPTTSHRSMN1; SMN2OPRM1
SCHEMBL28281612 0.73 TSHR (0.46) LMNATSHRSMN1; SMN2FDPSCA1
SCHEMBL324601 0.73 LMNA (0.43) LMNAMAPTTSHRSMN1; SMN2FDPS
SCHEMBL19420955 0.73 LMNA (0.43) LMNAMAPTTSHRSMN1; SMN2FDPS
SCHEMBL11972934 0.71 TSHR (0.45) LMNAMAPTTSHRSMN1; SMN2FDPS
SCHEMBL26624434 0.71 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL27513963 0.71 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL11659422 0.71 LCK (0.50) MAPTGPR84FFAR1LCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202948-A1 PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
EP-1159241-A1 PROCESSES FOR THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-12-05 EP disclosed
EP-1131273-A1 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-09-12 EP disclosed
WO-2001012578-A1 PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed
WO-2000029363-A1 PROCESSES FOR THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-05-25 WO disclosed
WO-2000029362-A1 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-05-25 WO disclosed