SCHEMBL4236378

SCHEMBL4236378

CCCCCCCCC#CC#CCCCCCC#CC#CCCCCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 1.00
PTPN7 P35236 4/20 0.92
TDP1 Q9NUW8 3/20 0.70
RECQL P46063 1/20 0.70
GPR84 Q9NQS5 6/20 0.68
PPARG P37231 6/20 0.68
PPARD Q03181 6/20 0.68
PPARA Q07869 6/20 0.68
HDAC11 Q96DB2 5/20 0.68
TSHR P16473 4/20 0.68
ALDH1A1 P00352 2/20 0.68
TLR2 O60603 2/20 0.68
FABP4 P15090 2/20 0.68
PTPN1 P18031 2/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
SLC22A8 Q8TCC7 1/20 0.68
MEN1 O00255 1/20 0.68
ESR1 P03372 1/20 0.68
ALOX15 P16050 1/20 0.68
PDE4A P27815 1/20 0.68

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
SCHEMBL417934 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL3672495 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL3667270 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
Arachidic Acid SCHEMBL10942966 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL3673938 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL455799 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL5052818 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL12478231 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
Stearic Acid SCHEMBL10942937 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84
SCHEMBL416143 1.00 HMGCR (1.00) HMGCRPTPN7TDP1RECQLGPR84

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-20130280920-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-24 US claimed
US-8465803-B2 Templated monolayer polymerization and replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-18 US claimed
US-20120288626-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-15 US claimed
US-8227035-B2 Templated monolayer polymerization and replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-07-24 US claimed
US-20090326269-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-12-31 US claimed
US-7563482-B2 Nucleotide/oligonucleotide hybridization; mineralization; electroless plating MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-21 US claimed
US-20080118644-A1 Nucleotide/oligonucleotide hybridization; mineralization; electroless plating MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-05-22 US claimed
US-7311943-B2 Self-replicating monolayer system on a defined template; initial monolayer is patterned and used as a template for self-assembly of a second monolayer by molecular recognition; monomers such as hentriaconta-11,13,20,22-tetraynoic acid MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-12-25 US claimed
US-20040076757-A1 Self-replicating monolayer system on a defined template; initial monolayer is patterned and used as a template for self-assembly of a second monolayer by molecular recognition; monomers such as hentriaconta-11,13,20,22-tetraynoic acid MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-04-22 US claimed
US-20130280920-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-24 US disclosed
US-8465803-B2 Templated monolayer polymerization and replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-18 US disclosed
US-20120288626-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-15 US disclosed
US-8227035-B2 Templated monolayer polymerization and replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-07-24 US disclosed
US-20090326269-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-12-31 US disclosed
US-7563482-B2 Nucleotide/oligonucleotide hybridization; mineralization; electroless plating MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-21 US disclosed
US-20080118644-A1 Nucleotide/oligonucleotide hybridization; mineralization; electroless plating MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-05-22 US disclosed
US-7311943-B2 Self-replicating monolayer system on a defined template; initial monolayer is patterned and used as a template for self-assembly of a second monolayer by molecular recognition; monomers such as hentriaconta-11,13,20,22-tetraynoic acid MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-12-25 US disclosed
US-20040076757-A1 Self-replicating monolayer system on a defined template; initial monolayer is patterned and used as a template for self-assembly of a second monolayer by molecular recognition; monomers such as hentriaconta-11,13,20,22-tetraynoic acid MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-04-22 US disclosed