SCHEMBL2879176

SCHEMBL2879176

C=C(C)C(=O)C(CCC)N=C=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7905957 0.89 CA2 (0.34) TSHR
SCHEMBL4522950 0.85
SCHEMBL6292709 0.81 TGFBR1 (0.32)
SCHEMBL451419 0.78 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29061787 0.77
SCHEMBL6101629 0.76 CHRM1 (0.44) CYP3A4TSHRNFKB1NPSR1CHRM1
SCHEMBL1195792 0.74 TSHR (0.31) TSHR
SCHEMBL27212164 0.72 CA1 (0.40) CYP3A4TSHRNFKB1NPSR1CHRM1
SCHEMBL4612822 0.70 ALDH1A1 (0.36) TSHR
SCHEMBL156413 0.70 TDP1 (0.31) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035595-A1 RADIATION CURABLE MODIFIED, UNSATURATED, AMORPHOUS POLYESTERS DEGUSSA GMBH (DE) 2009-02-05 US claimed
US-20080262144-A1 Aqueous, Radiation-Hardenable Resins, Method for the Production Thereof, and Use of the Same DEGUSSA GMBH (DE) 2008-10-23 US claimed
US-20080234427-A1 Utilization of Radiohardenable Resins Based on Ketone and/or Urea Aldehyde Resins DEGUSSA AG (DE) 2008-09-25 US claimed
EP-1508582-B1 Radiation curable resins based on hydrogenated ketone and/or phenol-aldehyde resins and process for their preparation EVONIK DEGUSSA GMBH (DE) 2008-08-27 EP claimed
EP-1711566-B1 UTILIZATION OF RADIOHARDENABLE RESINS BASED ON KETONE AND/OR UREA ALDEHYDE RESINS EVONIK DEGUSSA GMBH (DE) 2008-05-14 EP claimed
US-20070123661-A1 Utilization of radiohardenable resins based on hydrogenated ketone and phenol aldehyde resins DEGUSSA AG (DE) 2007-05-31 US claimed
EP-1508581-B1 Radiation curable resins based on ketone and/or urea-aldehyde resins and process for their preparation DEGUSSA (DE) 2007-04-04 EP claimed
US-7759424-B2 Radiation curable modified, unsaturated, amorphous polyesters EVONIK DEGUSSA GMBH (DE) 2010-07-20 US disclosed
US-20090035595-A1 RADIATION CURABLE MODIFIED, UNSATURATED, AMORPHOUS POLYESTERS DEGUSSA GMBH (DE) 2009-02-05 US disclosed
US-20080262144-A1 Aqueous, Radiation-Hardenable Resins, Method for the Production Thereof, and Use of the Same DEGUSSA GMBH (DE) 2008-10-23 US disclosed
US-20080234427-A1 Utilization of Radiohardenable Resins Based on Ketone and/or Urea Aldehyde Resins DEGUSSA AG (DE) 2008-09-25 US disclosed
US-20080039593-A1 Aqueous, Unsaturated, Amorphous Polyesters that are Modified so as to be Radiation Curable DEGUSSA GMBH (DE) 2008-02-14 US disclosed
US-7329710-B2 Radiation-curable resins based on ketone-aldehyde and/or urea-aldehyde resins and a process for preparing them DEGUSSA AG (DE) 2008-02-12 US disclosed
US-20070123661-A1 Utilization of radiohardenable resins based on hydrogenated ketone and phenol aldehyde resins DEGUSSA AG (DE) 2007-05-31 US disclosed
US-20050043501-A1 Radiation-curable resins based on ketone-aldehyde and/or urea-aldehyde resins and a process for preparing them DEGUSSA AG (DE) 2005-02-24 US disclosed