SCHEMBL6935659

SCHEMBL6935659

FC(/C=C/c1ccc(F)c(Oc2ccccc2)c1)=C(\c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCL12 P48061 3/20 0.35
CXCR4 P61073 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAOB P27338 1/20 0.34
SRD5A2 P31213 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 1/20 0.33
KDR P35968 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6932505 1.00 LMNA (0.35) LMNAL3MBTL1SMN1; SMN2CXCL12CXCR4
SCHEMBL6934678 0.89 CXCL12 (0.38) CXCL12HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6934681 0.89 CXCL12 (0.38) CXCL12HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7862126 0.80 SMN1; SMN2 (0.32) LMNASMN1; SMN2HTR1ASLC6A2SLC6A4
SCHEMBL7862124 0.80 TTR (0.32) LMNASMN1; SMN2CXCL12HTR1ASLC6A2
SCHEMBL9540399 0.80 LMNA (0.36) LMNAL3MBTL1SMN1; SMN2CXCL12CXCR4
SCHEMBL9540404 0.80 LMNA (0.36) LMNAL3MBTL1SMN1; SMN2CXCL12CXCR4
SCHEMBL6230688 0.80 LMNA (0.34) LMNAL3MBTL1SMN1; SMN2HTR1ASLC6A2
SCHEMBL6230685 0.80 LMNA (0.34) LMNAL3MBTL1SMN1; SMN2HTR1ASLC6A2
SCHEMBL7862130 0.79 CXCL12 (0.32) LMNACXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646166-B1 Reacting an arylmethanesulfonyl fluoride or arylmethanephos-phonate with a 3-aryl-2-fluoropropenal BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US claimed
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
EP-1159241-B1 PROCESSES FOR THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AG (DE) 2003-08-20 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
US-6646166-B1 Reacting an arylmethanesulfonyl fluoride or arylmethanephos-phonate with a 3-aryl-2-fluoropropenal BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US 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-1159241-B1 PROCESSES FOR THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AG (DE) 2003-08-20 EP disclosed
EP-0811593-B1 1,4-diaryl-2-fluoro-2-butene insecticidal and acaricidal agents BASF AG (DE) 2002-07-24 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
US-6235754-B1 USING 1,4-DIARYL-(2-FLUORO- OR 2,3-DIFLUORO-)-2-BUTENE AMERICAN CYANAMID COMPANY 2001-05-22 US 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
US-5998673-A ENANTIOMORPHS; BROMINATION 4-ARYL-3-FLUORO-2-BUTEN-1-OL; REACTING WITH ARYLBORONIC ACID IN PRESENCE OF A CATALYST AMERICAN CYANAMID COMPANY (US) 1999-12-07 US disclosed
EP-0933027-A1 Methods and compositions for protecting animals and humans against attack and infestation by arthropod and helminth parasites American Cyanamid Company (US) 1999-08-04 EP disclosed
US-5849958-A 1,4,diaryl-2-fluoro-2-butene insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0811593-A1 1,4-diaryl-2-fluoro-2-butene insecticidal and acaricidal agents American Cyanamid Company (US) 1997-12-10 EP disclosed