SCHEMBL6935487

SCHEMBL6935487

OC(Cc1ccc(F)c(Oc2ccccc2)c1)C(F)=C(c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.35
LPAR1 Q92633 6/20 0.34
LPAR5 Q9H1C0 6/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 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
SCHEMBL6935483 1.00 MAPK14 (0.39) MAPK14MEN1KMT2AFFAR1LPAR1
SCHEMBL6932578 0.89 PPARA (0.35) LPAR1LPAR5PTGDR2HPGDSMN1; SMN2
SCHEMBL6932576 0.89 PPARA (0.35) LPAR1LPAR5PTGDR2HPGDSMN1; SMN2
SCHEMBL7860919 0.79 LPAR1 (0.33) LPAR1LPAR5
SCHEMBL7860916 0.79 DRD4 (0.32)
SCHEMBL7860917 0.79 TTR (0.31) LPAR1LPAR5
SCHEMBL6934678 0.75 CXCL12 (0.38) MAPK14
SCHEMBL6934681 0.75 CXCL12 (0.38) MAPK14
SCHEMBL8418431 0.73 SRD5A2 (0.38) LPAR1LPAR5HPGDSMN1; SMN2LTA4H
SCHEMBL7205195 0.70 FFAR1 (0.35) MAPK14MEN1KMT2AFFAR1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131273-B1 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 BASF AG (DE) 2003-10-22 EP claimed
US-6342642-B1 DEHYDROXYLATION OF HALOBUTENOL COMPOUNDS TO FORM BUTADIENES BASF AKTIENGESELLSCHAFT (DE) 2002-01-29 US claimed
EP-1202948-B1 PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AG (DE) 2003-12-10 EP disclosed
EP-1131273-B1 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 BASF AG (DE) 2003-10-22 EP disclosed
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
US-6342642-B1 DEHYDROXYLATION OF HALOBUTENOL COMPOUNDS TO FORM BUTADIENES BASF AKTIENGESELLSCHAFT (DE) 2002-01-29 US disclosed
US-6291721-B1 REACTING 2-ARYL ALDEHYDE COMPOUND WITH ALCOHOL OR HEATING ACETAL COMPOUND IN PRESENCE OF APROTIC SOLVENT TO PRODUCE2-ARYLVINYL ETHER COMPOUND AMERICAN CYANAMID CO. 2001-09-18 US 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-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