SCHEMBL4231623

SCHEMBL4231623

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

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.72
▸ PTPN7 P35236 4/20 0.67
▸ SELP P16109 1/20 0.58
▸ SOAT1 P35610 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ FAAH O00519 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL1918073 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2201502 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2182049 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL4225757 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2180780 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL2181335 1.00 HMGCR (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL3796753 0.96 PTPN7 (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL4453291 0.96 PTPN7 (0.72) HMGCRPTPN7SELPSOAT1MEN1
SCHEMBL12477833 0.93 HMGCR (0.86) HMGCRPTPN7MEN1KMT2AKDM4E
Tetradecanamide SCHEMBL12477585 0.93 HMGCR (0.86) HMGCRPTPN7MEN1KMT2AKDM4E

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
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